potassiumcarbonitrile

• ChemBase ID: 138160
• Molecular Formular: CKN
• Molecular Mass: 66.10835484
• Monoisotopic Mass: 65.97013552
• SMILES: [13C](#N)[K]
• Canonical SMILES: [K][13C]#N
• InChI: InChI=1S/CN.K/c1-2;/i1+1
• InChIKey: YUZRZFQHUCKACF-YTBWXGASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassiumcarbonitrile
• IUPAC Traditional name: zyankali
• Synonyms: 13C Labeled potassium cyanide; 13C labeled KCN; Potassium cyanide-13C; 氰化钾-13C

Database IDs

• CAS Number: 25909-68-6
• MDL Number: MFCD00064506
• Beilstein Number: 3535479
• PubChem SID: 162232418; 24857894
• PubChem CID: 11789121

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.0901
• LogD (pH = 7.4): 0.0901
• Log P: 0.0901
• Molar Refractivity: 6.6556 cm^3
• Polarizability: 4.733503 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1680
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• 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 1680 6.1/PG 1
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 66.10 by atom % calculation
• Linear Formula: K13CN

DETAILS

Sigma Aldrich - 297038

Packaging
1 g in glass bottle
250 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.