potassium(15N)carbonitrile

• ChemBase ID: 138756
• Molecular Formular: CKN
• Molecular Mass: 66.1091089
• Monoisotopic Mass: 65.96381558
• SMILES: C(#[15N])[K]
• Canonical SMILES: [K]C#[15N]
• InChI: InChI=1S/CN.K/c1-2;/i2+1
• InChIKey: YUZRZFQHUCKACF-CGOMOMTCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium(^1^5N)carbonitrile
• IUPAC Traditional name: potassium(^1^5N)carbonitrile
• Synonyms: Potassium cyanide-15N; 氰化钾-15N

Database IDs

• CAS Number: 5297-01-8
• MDL Number: MFCD00075012
• PubChem SID: 162233007; 24860176
• PubChem CID: 11062295

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
• RID/ADR: UN 1680 6.1/PG 1
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 66.10 by atom % calculation
• Linear Formula: KC15N

DETAILS

Sigma Aldrich - 333751

Packaging
1 g in glass bottle
250 mg in glass bottle
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