Barium thiocyanate

Barium thiocyanate^[1]^[2]
Names
	IUPAC name Barium thiocyanate
	Other names Barium sulfur cyanide; Barium(II) thiocyanate; Barium sulfocyanide;
Identifiers
CAS Number	2092-17-3; trihydrate: 68016-36-4;
3D model (JSmol)	Interactive image;
ChemSpider	144591;
ECHA InfoCard	100.016.587
EC Number	218-245-9;
PubChem CID	164928;
UNII	3412AZ8I1A;
CompTox Dashboard (EPA)	DTXSID90890553 ;
	InChI InChI=1S/2CHNS.Ba/c22-1-3;/h23H;/q;;+2/p-2 Key: LKZCRGABYQYUFX-UHFFFAOYSA-L;
	SMILES C(#N)[S-].C(#N)[S-].[Ba+2];
Properties
Chemical formula	Ba(SCN)2
Molar mass	253.49 g/mol
Appearance	White crystals
Solubility in water	62.63 g/100 ml (25°C)
Solubility	Soluble in acetone, methanol, and ethanol
Hazards
	GHS labelling:
Pictograms
Hazard statements	H301, H312, H315, H319, H332, H335
Precautionary statements	P261, P280, P302+P352, P304+P340
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Barium thiocyanate refers to salts of the formula Ba(SCN)_2.xH₂O. Both an anhydrous salt and a trihydrate are known. The anhydrous salt is hygroscopic. The trihydrate is soluble in most alcohols but insoluble in simple alkanes. Barium thiocyanate is used in dyeing textiles and in some photographic solutions. But because of its toxicity, it has limited uses.^[3]

Preparation and structure

Barium thiocyanate is prepared by mixing barium hydroxide and ammonium thiocyanate in water. ^[4]

2 NH₄SCN + Ba(OH)₂ → Ba(SCN)₂ + 2 NH₃ + 2 H₂O

According to X-ray crystallography, the anhydrous salt is a coordination polymer. The Ba²⁺ ions are each bonded to eight thiocyanate anions, with four Ba-S and four Ba-N bonds. The motif is reminiscent of the fluorite structure.^[5] Strontium thiocyanate, calcium thiocyanate, and lead thiocyanate adopt the same structure.

References

^ "Barium thiocyanate | 336879-43-7". Sigma-Aldrich. 2012-09-14. Retrieved 2021-01-20.
^ "BARIUM THIOCYANATE | 2092-17-3". Chemicalbook.com. 2020-07-03. Retrieved 2021-01-20.
^ "Barium thiocyanate - CAMEO". Cameo.mfa.org. 2016-04-29. Retrieved 2021-01-20.
^ Herstein, Karl M. (1950). "Barium Thiocyanate". Inorganic Syntheses. 3: 24–26.
^ Cliffe, Matthew J. (2024). "Inorganic Metal Thiocyanates". Inorganic Chemistry. 63 (29): 13137–13156. doi:10.1021/acs.inorgchem.4c00920. PMC 11271006. PMID 38980309.

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[1] "Barium thiocyanate | 336879-43-7". Sigma-Aldrich. 2012-09-14. Retrieved 2021-01-20.

[2] "BARIUM THIOCYANATE | 2092-17-3". Chemicalbook.com. 2020-07-03. Retrieved 2021-01-20.

[3] "Barium thiocyanate - CAMEO". Cameo.mfa.org. 2016-04-29. Retrieved 2021-01-20.

[4] Herstein, Karl M. (1950). "Barium Thiocyanate". Inorganic Syntheses. 3: 24–26.

[5] Cliffe, Matthew J. (2024). "Inorganic Metal Thiocyanates". Inorganic Chemistry. 63 (29): 13137–13156. doi:10.1021/acs.inorgchem.4c00920. PMC 11271006. PMID 38980309.

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