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/testcases8 -- Pharma -- ATC code, pregnancy, legal, preg cat, PLLR, pharmakinetics
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Demo 1 Magnesium sulfate

[edit]

Purge Magnesium sulfate (not an exact copy)

Magnesium sulfate

Anhydrous magnesium sulfate

Epsomite (heptahydrate)
Names
IUPAC name
Magnesium sulfate
Other names
Epsom salt (heptahydrate)
English salt
Bitter salts
Identifiers
3D model (JSmol)
Abbreviations abbr
ChEBI
ChEMBL
ChemSpider
DrugBank
RTECS number
  • OM4500000
UNII
  • InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 checkY
    Key: STDNNHWWHGAXBCP-UHFFFAOYSA-S checkY
  • InChI=1/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L checkY
  • InChI=1S/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)55(85)71-43(29(6)13-2)54(84)68-40(27-75)52(82)73-46-33(10)88-57(87)45(31(8)15-4)72-50(80)38(24-35-25-62-58(60)64-35)66-47(77)32(9)63-56(46)86/h16-20,28-33,35-40,42-46,61,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H,63,86)(H,65,81)(H,66,77)(H,67,83)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,80)(H,73,82)(H3,60,62,64)/t28-,29-,30-,31-,32-,33-,35-,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+/m1/s1
    Key: K1NNHWWHGAXBCP-UHFFFAOYSA-L1
  • InChI=2/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: K2NNHWWHGAXBCP-UHFFFAOYSA-L2
  • InChI=3/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L3
  • InChI=4/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L4
  • InChI=5/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L5
  • Oooooo
  • [Mg+1].[O-]S([O-])(=O)=O
  • [Mg+2].[O-]S([O-])(=O)=1
  • [Mg+2].[O-]S([O-])(=O)=O2
  • [Mg+2].[O-]S([O-])(=O)=O3
  • [Mg+2].[O-]S([O-])(=O)=O4
  • [Mg+2].[O-]S([O-])(=O)=O5
  • asoeut puioewgr piu
Properties
MgSO4
Molar mass 120.366 g/mol (anhydrous)
138.38 g/mol (monohydrate)
174.41 g/mol (trihydrate)
210.44 g/mol (pentahydrate)
228.46 g/mol (hexahydrate)
246.47 g/mol (heptahydrate)
Appearance white crystalline solid
Odor odorless
Density 2.66 g/cm3 (anhydrous)
2.445 g/cm3 (monohydrate)
1.68 g/cm3 (heptahydrate)
1.512 g/cm3 (11-hydrate)
Melting point anhydrous decomposes at 1,124 °C
monohydrate decomposes at 200 °C
heptahydrate decomposes at 150 °C
undecahydrate decomposes at 2 °C
anhydrous
26.9 g/100 mL (0 °C)
25.5 g/100 mL (20 °C)
50.2 g/100 mL (100 °C)
heptahydrate
71 g/100 mL (20 °C)
Solubility 1.16 g/100 mL (18 °C, ether)
slightly soluble in alcohol, glycerol
insoluble in acetone
1.523 (monohydrate)
1.433 (heptahydrate)
Structure
monoclinic (hydrate)
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 0: Will not burn. E.g. waterInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1
0
0
Flash point 38 °C; 100 °F; 311 K[1]
Safety data sheet (SDS) External MSDS
Related compounds
Other cations
 Beryllium sulfate
Calcium sulfate
Strontium sulfate
Barium sulfate
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)
Tracking categories (test):
Magnesium sulfate

Anhydrous magnesium sulfate

Epsomite (heptahydrate)
Names
IUPAC name
Magnesium sulfate
Other names
Epsom salt (heptahydrate)
English salt
Bitter salts
Identifiers
3D model (JSmol)
Abbreviations abbr
ChEBI
ChEMBL
ChemSpider
DrugBank
RTECS number
  • OM4500000
UNII
  • InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 checkY
    Key: STDNNHWWHGAXBCP-UHFFFAOYSA-S checkY
  • InChI=1/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L checkY
  • InChI=1S/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)
    Key: K1NNHWWHGAXBCP-UHFFFAOYSA-L1
  • InChI=2/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: K2NNHWWHGAXBCP-UHFFFAOYSA-L2
  • InChI=3/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L3
  • InChI=4/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L4
  • InChI=5/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L5
  • Oooooo
  • [Mg+1].[O-]S([O-])(=O)=O
  • [Mg+2].[O-]S([O-])(=O)=1
  • [Mg+2].[O-]S([O-])(=O)=O2
  • [Mg+2].[O-]S([O-])(=O)=O3
  • [Mg+2].[O-]S([O-])(=O)=O4
  • [Mg+2].[O-]S([O-])(=O)=O5
  • asoeut puioewgr piu
Properties
MgSO4
Molar mass 120.366 g/mol (anhydrous)
138.38 g/mol (monohydrate)
174.41 g/mol (trihydrate)
210.44 g/mol (pentahydrate)
228.46 g/mol (hexahydrate)
246.47 g/mol (heptahydrate)
Appearance white crystalline solid
Odor odorless
Density 2.66 g/cm3 (anhydrous)
2.445 g/cm3 (monohydrate)
1.68 g/cm3 (heptahydrate)
1.512 g/cm3 (11-hydrate)
Melting point anhydrous decomposes at 1,124 °C
monohydrate decomposes at 200 °C
heptahydrate decomposes at 150 °C
undecahydrate decomposes at 2 °C
anhydrous
26.9 g/100 mL (0 °C)
25.5 g/100 mL (20 °C)
50.2 g/100 mL (100 °C)
heptahydrate
71 g/100 mL (20 °C)
Solubility 1.16 g/100 mL (18 °C, ether)
slightly soluble in alcohol, glycerol
insoluble in acetone
1.523 (monohydrate)
1.433 (heptahydrate)
Structure
monoclinic (hydrate)
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 0: Will not burn. E.g. waterInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1
0
0
Flash point 38 °C; 100 °F; 311 K[2]
Safety data sheet (SDS) External MSDS
Related compounds
Other cations
 Beryllium sulfate
Calcium sulfate
Strontium sulfate
Barium sulfate
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)
Tracking categories (test):

Demo 2

[edit]

distorted

Magnesium sulfate
Names
IUPAC name
Magnesium sulfate
Other names
Epsom salt (heptahydrate)
English salt
Bitter salts
Identifiers
  • Also: 133-33-3 (CASNoOther test)
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
RTECS number
  • OM4500000
UNII
  • InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 checkY
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L checkY
  • InChI=1/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-NUQVWONBAQ
  • InChI=1/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: 222
  • [Mg+2].[O-]S([O-])(=O)=O
Properties
MgSO4
Molar mass 120.366 g/mol (anhydrous)
138.38 g/mol (monohydrate)
174.41 g/mol (trihydrate)
210.44 g/mol (pentahydrate)
228.46 g/mol (hexahydrate)
246.47 g/mol (heptahydrate)
Appearance white crystalline solid
Odor odorless
Density 2.66 g/cm3 (anhydrous)
2.445 g/cm3 (monohydrate)
1.68 g/cm3 (heptahydrate)
1.512 g/cm3 (11-hydrate)
Melting point anhydrous decomposes at 1,124 °C
monohydrate decomposes at 200 °C
heptahydrate decomposes at 150 °C
undecahydrate decomposes at 2 °C
anhydrous
26.9 g/100 mL (0 °C)
25.5 g/100 mL (20 °C)
50.2 g/100 mL (100 °C)
heptahydrate
71 g/100 mL (20 °C)
Solubility 1.16 g/100 mL (18 °C, ether)
slightly soluble in alcohol, glycerol
insoluble in acetone
1.523 (monohydrate)
1.433 (heptahydrate)
Structure
monoclinic (hydrate)
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 0: Will not burn. E.g. waterInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1
0
0
Safety data sheet (SDS) External MSDS
Related compounds
Other cations
 Beryllium sulfate
Calcium sulfate
Strontium sulfate
Barium sulfate
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)
Magnesium sulfate
Names
IUPAC name
Magnesium sulfate
Other names
Epsom salt (heptahydrate)
English salt
Bitter salts
Identifiers
  • Also: 133-33-3 (CASNoOther test)
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
RTECS number
  • OM4500000
UNII
  • InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 checkY
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L checkY
  • InChI=1/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-NUQVWONBAQ
  • InChI=1/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: 222
  • [Mg+2].[O-]S([O-])(=O)=O
Properties
MgSO4
Molar mass 120.366 g/mol (anhydrous)
138.38 g/mol (monohydrate)
174.41 g/mol (trihydrate)
210.44 g/mol (pentahydrate)
228.46 g/mol (hexahydrate)
246.47 g/mol (heptahydrate)
Appearance white crystalline solid
Odor odorless
Density 2.66 g/cm3 (anhydrous)
2.445 g/cm3 (monohydrate)
1.68 g/cm3 (heptahydrate)
1.512 g/cm3 (11-hydrate)
Melting point anhydrous decomposes at 1,124 °C
monohydrate decomposes at 200 °C
heptahydrate decomposes at 150 °C
undecahydrate decomposes at 2 °C
anhydrous
26.9 g/100 mL (0 °C)
25.5 g/100 mL (20 °C)
50.2 g/100 mL (100 °C)
heptahydrate
71 g/100 mL (20 °C)
Solubility 1.16 g/100 mL (18 °C, ether)
slightly soluble in alcohol, glycerol
insoluble in acetone
1.523 (monohydrate)
1.433 (heptahydrate)
Structure
monoclinic (hydrate)
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 0: Will not burn. E.g. waterInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1
0
0
Safety data sheet (SDS) External MSDS
Related compounds
Other cations
 Beryllium sulfate
Calcium sulfate
Strontium sulfate
Barium sulfate
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)

Demo 3

[edit]

Purge cat checks Other, break

Magnesium sulfate
Names
IUPAC name
Magnesium sulfate
Other names
Epsom salt (heptahydrate)
English salt
Bitter salts
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
RTECS number
  • OM4500000
UNII
  • InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 checkY
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L checkY
  • InChI=1/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-NUQVWONBAQ
  • [Mg+2].[O-]S([O-])(=O)=O
Properties
MgSO4
Molar mass 120.366 g/mol (anhydrous)
138.38 g/mol (monohydrate)
174.41 g/mol (trihydrate)
210.44 g/mol (pentahydrate)
228.46 g/mol (hexahydrate)
246.47 g/mol (heptahydrate)
Appearance white crystalline solid
Odor odorless
Density 2.66 g/cm3 (anhydrous)
2.445 g/cm3 (monohydrate)
1.68 g/cm3 (heptahydrate)
1.512 g/cm3 (11-hydrate)
Melting point anhydrous decomposes at 1,124 °C
monohydrate decomposes at 200 °C
heptahydrate decomposes at 150 °C
undecahydrate decomposes at 2 °C
anhydrous
26.9 g/100 mL (0 °C)
25.5 g/100 mL (20 °C)
50.2 g/100 mL (100 °C)
heptahydrate
71 g/100 mL (20 °C)
Solubility 1.16 g/100 mL (18 °C, ether)
slightly soluble in alcohol, glycerol
insoluble in acetone
1.523 (monohydrate)
1.433 (heptahydrate)
Structure
monoclinic (hydrate)
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth (blue): no hazard codeFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability (yellow): no hazard codeSpecial hazard W: Reacts with water in an unusual or dangerous manner. E.g. sodium, sulfuric acid
1
W
A-ignit 50 °C (122 °F; 323 K)
Safety data sheet (SDS) External MSDS
Related compounds
Other cations
 Beryllium sulfate
Calcium sulfate
Strontium sulfate
Barium sulfate
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)
Magnesium sulfate
Names
IUPAC name
Magnesium sulfate
Other names
Epsom salt (heptahydrate)
English salt
Bitter salts
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
RTECS number
  • OM4500000
UNII
  • InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 checkY
    Key: CSNNHWWHGAXBCP-UHFFFAOYSA-L checkY
  • InChI=1/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
    Key: CSNNHWWHGAXBCP-NUQVWONBAQ
  • [Mg+2].[O-]S([O-])(=O)=O
Properties
MgSO4
Molar mass 120.366 g/mol (anhydrous)
138.38 g/mol (monohydrate)
174.41 g/mol (trihydrate)
210.44 g/mol (pentahydrate)
228.46 g/mol (hexahydrate)
246.47 g/mol (heptahydrate)
Appearance white crystalline solid
Odor odorless
Density 2.66 g/cm3 (anhydrous)
2.445 g/cm3 (monohydrate)
1.68 g/cm3 (heptahydrate)
1.512 g/cm3 (11-hydrate)
Melting point anhydrous decomposes at 1,124 °C
monohydrate decomposes at 200 °C
heptahydrate decomposes at 150 °C
undecahydrate decomposes at 2 °C
anhydrous
26.9 g/100 mL (0 °C)
25.5 g/100 mL (20 °C)
50.2 g/100 mL (100 °C)
heptahydrate
71 g/100 mL (20 °C)
Solubility 1.16 g/100 mL (18 °C, ether)
slightly soluble in alcohol, glycerol
insoluble in acetone
1.523 (monohydrate)
1.433 (heptahydrate)
Structure
monoclinic (hydrate)
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth (blue): no hazard codeFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability (yellow): no hazard codeSpecial hazard W: Reacts with water in an unusual or dangerous manner. E.g. sodium, sulfuric acid
1
W
A-ignit 50 °C (122 °F; 323 K)
Safety data sheet (SDS) External MSDS
Related compounds
Other cations
 Beryllium sulfate
Calcium sulfate
Strontium sulfate
Barium sulfate
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)

Ammonia

[edit]

Purge

Ammonia
Stereo structural formula of the ammonia molecule
Ball-and-stick model of the ammonia molecule
Ball-and-stick model of the ammonia molecule
Space-filling model of the ammonia molecule
Space-filling model of the ammonia molecule
Names
IUPAC name
Azane
Other names
Hydrogen nitride

Trihydrogen nitride

Nitro-Sil
Identifiers
3D model (JSmol)
3DMet
3587154
ChEBI
ChEMBL
ChemSpider
EC Number
  • 231-635-3
79
KEGG
MeSH Ammonia
RTECS number
  • BO0875000
UNII
UN number 1005
  • InChI=1S/H3N/h1H3 checkY
    Key: QGZKDVFQNNGYKY-UHFFFAOYSA-N checkY
  • InChI=1/H3N/h1H3
    Key: QGZKDVFQNNGYKY-UHFFFAOYAF
  • N
Properties
NH3
Molar mass 17.031 g/mol
Appearance Colourless gas
Odor strong pungent odor
Density 0.86 kg/m3 (1.013 bar at boiling point)

0.769  kg/m3 (STP)[3]
0.73 kg/m3 (1.013 bar at 15 °C)
681.9 kg/m3 at −33.3 °C (liquid)[4]
817 kg/m3 at −80 °C (transparent solid)[5]

Melting point −77.73 °C (−107.91 °F; 195.42 K)
Boiling point −33.34 °C (−28.01 °F; 239.81 K)
47% w/w (0 °C)
31% w/w (25 °C)
18% w/w (50 °C)[6]
Solubility soluble in chloroform, ether, ethanol, methanol
Vapor pressure 8573 h Pa
Acidity (pKa) 32.5 (−33 °C),[7] 10.5 (DMSO)
Basicity (pKb) 4.75
1.3327
Structure
C3v
Trigonal pyramid
1.42 D
Thermochemistry
193 J·mol−1·K−1[8]
−46 kJ·mol−1[8]
Hazards
GHS labelling:
GHS04: Compressed GasGHS05: CorrosiveGHS06: ToxicGHS09: Environmental hazard[9]
H221, H280, H314, H331, H400[9]
P210, P261, P273, P280, P305+P351+P338, P310[9]
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 3: Short exposure could cause serious temporary or residual injury. E.g. chlorine gasFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
3
1
0
Flash point flammable gas (see text)
651 °C (1,204 °F; 924 K)
Explosive limits 15–28%
Lethal dose or concentration (LD, LC):
0.015 mL/kg (human, oral)
NIOSH (US health exposure limits):
PEL (Permissible)
 50 ppm (25 ppm ACGIH- TLV; 35 ppm STEL)
Related compounds
Other cations
 Phosphine
Arsine
Stibine
Related nitrogen hydrides
 Hydrazine
Hydrazoic acid
Related compounds
 Ammonium hydroxide
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Ammonia
Stereo structural formula of the ammonia molecule
Ball-and-stick model of the ammonia molecule
Ball-and-stick model of the ammonia molecule
Space-filling model of the ammonia molecule
Space-filling model of the ammonia molecule
Names
IUPAC name
Azane
Other names
Hydrogen nitride

Trihydrogen nitride

Nitro-Sil
Identifiers
3D model (JSmol)
3DMet
3587154
ChEBI
ChEMBL
ChemSpider
EC Number
  • 231-635-3
79
KEGG
MeSH Ammonia
RTECS number
  • BO0875000
UNII
UN number 1005
  • InChI=1S/H3N/h1H3 checkY
    Key: QGZKDVFQNNGYKY-UHFFFAOYSA-N checkY
  • InChI=1/H3N/h1H3
    Key: QGZKDVFQNNGYKY-UHFFFAOYAF
  • N
Properties
NH3
Molar mass 17.031 g/mol
Appearance Colourless gas
Odor strong pungent odor
Density 0.86 kg/m3 (1.013 bar at boiling point)

0.769  kg/m3 (STP)[10]
0.73 kg/m3 (1.013 bar at 15 °C)
681.9 kg/m3 at −33.3 °C (liquid)[11]
817 kg/m3 at −80 °C (transparent solid)[12]

Melting point −77.73 °C (−107.91 °F; 195.42 K)
Boiling point −33.34 °C (−28.01 °F; 239.81 K)
47% w/w (0 °C)
31% w/w (25 °C)
18% w/w (50 °C)[13]
Solubility soluble in chloroform, ether, ethanol, methanol
Vapor pressure 8573 h Pa
Acidity (pKa) 32.5 (−33 °C),[14] 10.5 (DMSO)
Basicity (pKb) 4.75
1.3327
Structure
C3v
Trigonal pyramid
1.42 D
Thermochemistry
193 J·mol−1·K−1[8]
−46 kJ·mol−1[8]
Hazards
GHS labelling:
GHS04: Compressed GasGHS05: CorrosiveGHS06: ToxicGHS09: Environmental hazard[9]
H221, H280, H314, H331, H400[9]
P210, P261, P273, P280, P305+P351+P338, P310[9]
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 3: Short exposure could cause serious temporary or residual injury. E.g. chlorine gasFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
3
1
0
Flash point flammable gas (see text)
651 °C (1,204 °F; 924 K)
Explosive limits 15–28%
Lethal dose or concentration (LD, LC):
0.015 mL/kg (human, oral)
NIOSH (US health exposure limits):
PEL (Permissible)
 50 ppm (25 ppm ACGIH- TLV; 35 ppm STEL)
Related compounds
Other cations
 Phosphine
Arsine
Stibine
Related nitrogen hydrides
 Hydrazine
Hydrazoic acid
Related compounds
 Ammonium hydroxide
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Periodic acid

[edit]

Uses: 

| ImageFile2 = <nowiki>Orthoperiodic acid</nowiki>

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Periodic acid
Orthoperiodic acid
Names
Other names
  • Paraperiodic acid
  • Iodic(VII) acid
  • Hydrogen periodate
Identifiers
3D model (JSmol)
ChemSpider
  • (orthoperiodic): InChI=I=1S/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7)
    Key: TWLXDPFBEPBAQB-UHFFFAOYSA-N
  • (metaperiodic): InChI=1/HIO4/c2-1(3,4)5/h(H,2,3,4,5)
    Key: KHIWWQKSHDUIBK-UHFFFAOYAH
  • (orthoperiodic): OI(=O)(O)(O)(O)O
  • (metaperiodic): OI(O)(O)(O)(O)=O
Properties
H5IO6 (orthoperiodic)
HIO4 (metaperiodic)
Molar mass 227.941 g/mol (H5IO6)
190.91 g/mol (HIO4)
Appearance Colourless crystals
Density 1.4 kg/m3 (orthoperiodic)
Melting point 128.5 °C (263.3 °F; 401.6 K)[15]
Solubility soluble in water, alcohols
Hazards
GHS labelling:
H271, H314, H372, H400
P210, P260, P273, P303+P361+P353, P305+P351+P338
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 3: Short exposure could cause serious temporary or residual injury. E.g. chlorine gasFlammability 0: Will not burn. E.g. waterInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazard OX: Oxidizer. E.g. potassium perchlorate
3
0
0
OX
Safety data sheet (SDS) External MSDS
Related compounds
Other anions
Other cations
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Periodic acid
Orthoperiodic acid
Names
Other names
  • Paraperiodic acid
  • Iodic(VII) acid
  • Hydrogen periodate
Identifiers
3D model (JSmol)
ChemSpider
  • (orthoperiodic): InChI=I=1S/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7)
    Key: TWLXDPFBEPBAQB-UHFFFAOYSA-N
  • (metaperiodic): InChI=1/HIO4/c2-1(3,4)5/h(H,2,3,4,5)
    Key: KHIWWQKSHDUIBK-UHFFFAOYAH
  • (orthoperiodic): OI(=O)(O)(O)(O)O
  • (metaperiodic): OI(O)(O)(O)(O)=O
Properties
H5IO6 (orthoperiodic)
HIO4 (metaperiodic)
Molar mass 227.941 g/mol (H5IO6)
190.91 g/mol (HIO4)
Appearance Colourless crystals
Density 1.4 kg/m3 (orthoperiodic)
Melting point 128.5 °C (263.3 °F; 401.6 K)[16]
Solubility soluble in water, alcohols
Hazards
GHS labelling:
H271, H314, H372, H400
P210, P260, P273, P303+P361+P353, P305+P351+P338
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 3: Short exposure could cause serious temporary or residual injury. E.g. chlorine gasFlammability 0: Will not burn. E.g. waterInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazard OX: Oxidizer. E.g. potassium perchlorate
3
0
0
OX
Safety data sheet (SDS) External MSDS
Related compounds
Other anions
Other cations
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Chloral hydrate (pharma)

[edit]

Purge

Chloral hydrate
Pharmacology
Oral codeine/syrup, rectal suppository
Pharmacokinetics:
well absorbed
converted to trichloroethanol, hepatic and renal
8–10 hours in plasma
bile, feces, urine (various metabolites not unchanged)
Legal status
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Chloral hydrate
Pharmacology
Oral codeine/syrup, rectal suppository
Pharmacokinetics:
well absorbed
converted to trichloroethanol, hepatic and renal
8–10 hours in plasma
bile, feces, urine (various metabolites not unchanged)
Legal status
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
[edit]

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Chloral hydrate
Pharmacology
License data
Legal status
  • AU: 3
  • CA: Non Controlled in CANADA
  • UK: 2
  • US: Schedule IV
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Chloral hydrate
Pharmacology
License data
Legal status
  • AU: 3
  • CA: Non Controlled in CANADA
  • UK: 2
  • US: Schedule IV
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

REL

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OLD (current) Chembox version
Hazards
NIOSH (US health exposure limits):[17]
PEL (Permissible)
 TWA 400 ppm (1400 mg/m3)
REL (Recommended)
 PEL, and ST 15 ppm (37 mg/m3)
IDLH (Immediate danger)
 2000 ppm
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Chembox/testcases12
Hazards
NIOSH (US health exposure limits):[19][18]
PEL (Permissible)
 TWA 400 ppm (1400 mg/m3)
REL (Recommended)
 PEL, and ST 15 ppm (37 mg/m3)
IDLH (Immediate danger)
 2000 ppm
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
v3
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
demo REL only
Hazards
NIOSH (US health exposure limits):[20]
REL (Recommended)
 rel
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
demo IDLH only
Hazards
NIOSH (US health exposure limits):[21]
IDLH (Immediate danger)
 IDLH
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Blank REL test chemobox

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Blank test version (to edit)
Hazards
NIOSH (US health exposure limits):[23][22]
REL (Recommended)
 TWA 100 ppm (300 mg/m3)
IDLH (Immediate danger)
 1500 ppm
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Teixobactin

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drugbox

[edit]
Teixobactin
Teixobactin skeleton
Clinical data
ATC code
  • none
Pharmacokinetic data
BioavailabilityUnknown
Protein bindingUnknown
MetabolismUnknown
Onset of actionUnknown
Elimination half-lifeUnknown
ExcretionUnknown
Identifiers
CAS Number
PubChem CID
ChemSpider
Chemical and physical data
FormulaC58H95N15O15
Molar mass1242.47 g/mol g·mol−1
3D model (JSmol)
  • CC[C@H](C)[C@H]1C(=O)O[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C[C@H]2CNC(=N)N2)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](Cc3ccccc3)NC)C
  • InChI=1/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)55(85)71-43(29(6)13-2)54(84)68-40(27-75)52(82)73-46-33(10)88-57(87)45(31(8)15-4)72-50(80)38(24-35-25-62-58(60)64-35)66-47(77)32(9)63-56(46)86/h16-20,28-33,35-40,42-46,61,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H,63,86)(H,65,81)(H,66,77)(H,67,83)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,80)(H,73,82)(H3,60,62,64)/t28-,29-,30-,31-,32-,33-,35-,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+/m0/s1

Teixobactin /ˌteɪks.oʊ.ˈbæk.tɪn/

(blank setup)

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Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
sandboxes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

refs

[edit]
  1. ^ abc
  2. ^ abc
  3. ^ http://www.engineeringtoolbox.com/gas-density-d_158.html
  4. ^ Yost, Don M. (2007). "Ammonia and Liquid Ammonia Solutions". Systematic Inorganic Chemistry. READ BOOKS. p. 132. ISBN 1-4067-7302-6.
  5. ^ Blum, Alexander (1975). "On crystalline character of transparent solid ammonia". Radiation Effects and Defects in Solids. 24 (4): 277. doi:10.1080/00337577508240819.
  6. ^ Budavari, Susan, ed. (1996). The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals (12th ed.). Merck. ISBN 0-911910-12-3.
  7. ^ Perrin, D. D., Ionisation Constants of Inorganic Acids and Bases in Aqueous Solution; 2nd Ed., Pergamon Press: Oxford, 1982.
  8. ^ a b c d Zumdahl, Steven S. (2009). Chemical Principles 6th Ed. Houghton Mifflin Company. p. A22. ISBN 0-618-94690-X.
  9. ^ a b c d e f Sigma-Aldrich Co., Ammonia. Retrieved on 2013-07-20.
  10. ^ http://www.engineeringtoolbox.com/gas-density-d_158.html
  11. ^ Yost, Don M. (2007). "Ammonia and Liquid Ammonia Solutions". Systematic Inorganic Chemistry. READ BOOKS. p. 132. ISBN 1-4067-7302-6.
  12. ^ Blum, Alexander (1975). "On crystalline character of transparent solid ammonia". Radiation Effects and Defects in Solids. 24 (4): 277. doi:10.1080/00337577508240819.
  13. ^ Budavari, Susan, ed. (1996). The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals (12th ed.). Merck. ISBN 0-911910-12-3.
  14. ^ Perrin, D. D., Ionisation Constants of Inorganic Acids and Bases in Aqueous Solution; 2nd Ed., Pergamon Press: Oxford, 1982.
  15. ^ Aylett, founded by A.F. Holleman ; continued by Egon Wiberg ; translated by Mary Eagleson, William Brewer ; revised by Bernhard J. (2001). Inorganic chemistry (1st English ed., [edited] by Nils Wiberg. ed.). San Diego, Calif. : Berlin: Academic Press, W. de Gruyter. p. 453. ISBN 0123526515.{{cite book}}: CS1 maint: multiple names: authors list (link)
  16. ^ Aylett, founded by A.F. Holleman ; continued by Egon Wiberg ; translated by Mary Eagleson, William Brewer ; revised by Bernhard J. (2001). Inorganic chemistry (1st English ed., [edited] by Nils Wiberg. ed.). San Diego, Calif. : Berlin: Academic Press, W. de Gruyter. p. 453. ISBN 0123526515.{{cite book}}: CS1 maint: multiple names: authors list (link)
  17. ^ "NIOSH Pocket Guide to Chemical Hazards".
  18. ^ "Pocket Guide in general".
  19. ^ "NIOSH Pocket Guide to Chemical Hazards".
  20. ^ "NIOSH Pocket Guide to Chemical Hazards".
  21. ^ helloworld
  22. ^ NIOSH Pocket Guide to Chemical Hazards. "#0278". National Institute for Occupational Safety and Health (NIOSH).
  23. ^ "NIOSH Pocket Guide to Chemical Hazards".
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