coppercarbonitrile

• ChemBase ID: 145426
• Molecular Formular: CCuN
• Molecular Mass: 90.55605484
• Monoisotopic Mass: 89.93602634
• SMILES: [13C](#N)[Cu]
• Canonical SMILES: [Cu][13C]#N
• InChI: InChI=1S/CN.Cu/c1-2;/i1+1
• InChIKey: DULSAGLWMRMKCQ-YTBWXGASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: coppercarbonitrile
• IUPAC Traditional name: cuprous cyanide
• Synonyms: Copper(I) cyanide-13C; 氰化铜(I)-13C

Database IDs

• CAS Number: 93596-81-7
• MDL Number: MFCD00083928
• PubChem SID: 24866504; 162239632
• PubChem CID: 12628443

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: 454 °C(lit.)
• Density: 2.920 g/mL at 25 °C
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1587
• German water hazard class: 3
• 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
• RID/ADR: UN 1587 6.1/PG 2
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 90.55 by atom % calculation
• Linear Formula: Cu13CN

DETAILS

Sigma Aldrich - 423467

Packaging
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.