coppercarbonitrile

• ChemBase ID: 158558
• Molecular Formular: CCuN
• Molecular Mass: 89.5634
• Monoisotopic Mass: 88.93267151
• SMILES: C(#N)[Cu]
• Canonical SMILES: [Cu]C#N
• InChI: InChI=1S/CN.Cu/c1-2
• InChIKey: DULSAGLWMRMKCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: coppercarbonitrile
• IUPAC Traditional name: cuprous cyanide
• Synonyms: Cuprous cyanide; Copper(I) cyanide; 一氰化铜; 氰化亚铜

Database IDs

• CAS Number: 544-92-3
• EC Number: 208-883-6
• MDL Number: MFCD00010975
• Beilstein Number: 3587244
• PubChem SID: 162252694; 24882072; 24852948
• PubChem CID: 11009

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.0461
• LogD (pH = 7.4): 0.0461
• Log P: 0.0461
• Molar Refractivity: 6.6556 cm^3
• Polarizability: 5.5687637 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 474 °C(lit.)
• Density: 2.92 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1587
• 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 1587 6.1/PG 2
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Purity: ≥99.0% (KT); 99%
• Grade: purum p.a.
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Na: ≤2000 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤100 mg/kg
• Antion Traces: chloride (Cl-): ≤5000 mg/kg; sulfate (SO42-): ≤100 mg/kg
• Linear Formula: CuCN

DETAILS

Sigma Aldrich - 216305

Application
Applied in a widely useful, thiosulfate-assisted, synthesis of a variety of diamine-CuCN complexes.1
Packaging
100, 500 g in poly bottle
5 g in glass bottle