zincdi(15N)carbonitrile

• ChemBase ID: 135864
• Molecular Formular: C2N2Zn
• Molecular Mass: 121.38692747
• Monoisotopic Mass: 119.93606947
• SMILES: [13C](#[15N])[Zn][13C]#[15N]
• Canonical SMILES: [15N]#[13C][Zn][13C]#[15N]
• InChI: InChI=1S/2CN.Zn/c2*1-2;/i2*1+1,2+1
• InChIKey: VJHHEOJUJAQMPF-GVEGDPDFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: zincdi(^1^5N)carbonitrile
• IUPAC Traditional name: zincdi(^1^5N)carbonitrile
• Synonyms: Zinc cyanide-13C2, 15N2; 氰化锌-13C2, 15N2

Database IDs

• MDL Number: MFCD09842657
• PubChem SID: 162230135
• PubChem CID: 71309451

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.0642
• LogD (pH = 7.4): -0.0642
• Log P: -0.0642
• Molar Refractivity: 13.3112 cm^3
• Polarizability: 7.725714 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1713
• 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 1713 6.1/PG 1
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % 15N; 99 atom % 13C
• Linear Formula: Zn(13C15N)2

DETAILS

Sigma Aldrich - 658618

Packaging
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.