1H-Benzotriazole-1-Carbonitrile
[CAS# 15328-32-2]

Identification

• Name: 1H-Benzotriazole-1-Carbonitrile
• Synonyms: 1H-BENZO[D][1,2,3]TRIAZOLE-1-CARBONITRILE; InChI=1/C7H4N4/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H
• Molecular Formula: C₇H₄N₄
• Molecular Weight: 144.13
• CAS Registry Number: 15328-32-2
• SMILES: C1=CC=C2C(=C1)N=NN2C#N
• InChI: 1S/C7H4N4/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H
• InChIKey: JPUHPGALPBINPO-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 300.7±25.0°C at 760 mmHg (Cal.)
• Flash point: 135.6±23.2°C (Cal.)
• Refractive index: 1.724 (Cal.)

References

• (1): Ulf Drechsler, Daniel J. Sandman and Bruce M. Foxman. N-(3-Cyanoprop-2-ynyl)carbazole: synthesis, crystal structure,; and solid-state reactivity, J. Chem. Soc., Perkin Trans. 2, 2001, 0, 581.