cobaltdicarbonitrile dihydrate

• ChemBase ID: 150147
• Molecular Formular: C2H4CoN2O2
• Molecular Mass: 146.99856
• Monoisotopic Mass: 146.96047238
• SMILES: C(#N)[Co]C#N.O.O
• Canonical SMILES: N#C[Co]C#N.O.O
• InChI: InChI=1S/2CN.Co.2H2O/c2*1-2;;;/h;;;2*1H2
• InChIKey: BQEYQDMFPKMUSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cobaltdicarbonitrile dihydrate
• IUPAC Traditional name: cobaltous cyanide dihydrate
• Synonyms: Cobalt(II) cyanide dihydrate; 氰化钴(II) 二水合物

Database IDs

• CAS Number: 20427-11-6
• EC Number: 208-830-7
• MDL Number: MFCD01076547
• PubChem SID: 162244308; 24874271
• PubChem CID: 16213804

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.6198
• LogD (pH = 7.4): -0.6198
• Log P: -0.6198
• Molar Refractivity: 13.3112 cm^3
• Polarizability: 7.475041 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1588
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 26/27/28-32-50/53
• Safety Statements: 7-28-29-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1588 6.1/PG 2
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Linear Formula: Co(CN)2 · 2H2O

DETAILS

Sigma Aldrich - 522392

Packaging
25 g in glass bottle