3-[5-(4-Ethylphenyl)-2H-Tetrazol-2-Yl]Propanenitrile
[CAS# 460363-92-2]

Identification

• Name: 3-[5-(4-Ethylphenyl)-2H-Tetrazol-2-Yl]Propanenitrile
• Synonyms: 3-(5-(4-ethylphenyl)-2H-tetrazol-2-yl)propanenitrile; ASN 04935558; ZINC04217826
• Molecular Formula: C₁₂H₁₃N₅
• Molecular Weight: 227.27
• CAS Registry Number: 460363-92-2
• SMILES: CCC1=CC=C(C=C1)C2=NN(N=N2)CCC#N
• InChI: 1S/C12H13N5/c1-2-10-4-6-11(7-5-10)12-14-16-17(15-12)9-3-8-13/h4-7H,2-3,9H2,1H3
• InChIKey: APYJDVYNPBFSDB-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 440.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 220.0±31.5°C (Cal.)
• Refractive index: 1.631 (Cal.)