Cobalt;hydron;thiocyanate
Basic information
- CAS
3017-60-5- Standard SMILES
N#C[S-].[Co].[H+]- InChIKey
RZUKIPMMIMKHSF-UHFFFAOYSA-N- Molecular formula
- CHCoNS
- Average molar mass
- 118.03 g/mol
- Monoisotopic mass
- 117.916164
Overview
See also: thiocyanic acid, cobalt(2+) salt (preferred).
Names & identifiers
- Preferred name
- Cobalt;hydron;thiocyanate
- IUPAC
- cobalt;hydron;thiocyanate
- English name
- Cobalt thiocyanate
- Molecular formula
- C2CoN2S2
- Molecular weight
- 175.1
Names & synonyms
SCHEMBL28592619COBALT(II) THIOCYANATECobalt(II) thiocyanate 96%CobaltthiopcyanateCobaltdithiocyanatCobalt thiocyanatecobalt dithiocyanateCOBALTOUS THIOCYANATECobalt(II) thiopcyanatecobaltous dithiocyanateCobalt(II)bisthiocyanate
Database identifiers
- CAS
3017-60-5- PubChem CID
- 175139157
Properties
Computed structural properties
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 34.5
Physicochemical properties
- solubility
- Methanol (Slightly), Water (Soluble)
- form
- Powder
- color
- brown
- Water Solubility
- Soluble in water.
- Merck
- 13 · 13,2475
- Exposure limits
- 0.02 mg/m3 · ACGIH: TWA 0.02 mg/m3
- Stability
- Stable, but reacts with acids to produce toxic gas. Moisture sensitive. Incompatible with acids, strong oxidizing agents.
- Major Application
- battery precursorscatalystsmaterial synthesis precursor
- InChI
- 1S/2CHNS.Co/c2*2-1-3;/h2*3H;/q;;+2/p-2
- InChIKey
- INDBQWVYFLTCFF-UHFFFAOYSA-L
- SMILES
- N#CS[Co]SC#N
- CAS DataBase Reference
- 3017 · 3017-60-5(CAS DataBase Reference)
- FDA UNII
- 59 BVN759I · Q59BVN759I
- EPA Substance Registry System
- Thiocyanic acid, cobalt(2+) salt (3017-60-5)
- UNSPSC Code
- 12352302 · 12352302
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- risk_code
- 20/21/22-32-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- hazard_code
- Xn,N
- safety_code
- 13-60-61-46-36/37
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H302+H312+H332-H341-H350-H350i-H360F-H410
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 1BMuta. 2Repr. 1B
- Precautionary statements
- P273-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313
Chemistry & industry
Applications
DescriptionThis deep red-violet salt is obtained as the tetrahydrate by crystallization of an aqueous solution of cobalt carbonate in thiocyanic acid. It is very deliquescent and gives a dark blue concentrated solution which turns pink upon dilution. It gives blue solutions in many organic solvents.
UsesCobalt(II) thiocyanate is best known for the cobalt thiocyanate test (or Scott test), which is a proven screening test for the presence of cocaine.
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Compound notes
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