copper(15N)carbonitrile

• ChemBase ID: 146582
• Molecular Formular: CCuN
• Molecular Mass: 91.54946374
• Monoisotopic Mass: 90.93306124
• SMILES: [13C](#[15N])[Cu]
• Canonical SMILES: [Cu][13C]#[15N]
• InChI: InChI=1S/CN.Cu/c1-2;/i1+1,2+1
• InChIKey: DULSAGLWMRMKCQ-AWQJXPNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(^1^5N)carbonitrile
• IUPAC Traditional name: copper(^1^5N)carbonitrile
• Synonyms: Copper(I) cyanide-13C,15N; 氰化铜(I)-13C,15N

Database IDs

• CAS Number: 199450-10-7
• MDL Number: MFCD00190294
• PubChem SID: 24872172; 162240776
• PubChem CID: 71311224

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: 2.985 g/mL at 25 °C
• Mass Shift: M+2

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
• 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

• Isotopic Purity: 98 atom % 15N; 99 atom % 13C
• Mol. Weight: mol wt 91.52 by atom % calculation
• Linear Formula: CuC15N

DETAILS

Sigma Aldrich - 486485

Packaging
500 mg 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.