1H-Benzotriazole-1-acetonitrile
[CAS# 111198-08-4]

Identification

• Name: 1H-Benzotriazole-1-acetonitrile
• Synonyms: 2-(1H-Benzotriazol-1-yl)acetonitrile; Benzotriazol-1-ylacetonitrile
• Molecular Formula: C₈H₆N₄
• Molecular Weight: 158.16
• CAS Registry Number: 111198-08-4
• EC Number: 626-614-4

Properties

• Solubility: Very slightly soluble (0.54 g/L) (25 ºC), Calc.^*
• Density: 1.30±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 87 ºC (ethyl acetate ligroine )^**

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2014 ACD/Labs)

^** Xu, Xiong-Bin; Acta Crystallographica, Section E: Structure Reports Online 2007, V63(12), Po4607, o4607/1-o4607/7.

Safety Data

• Hazard Symbols: Xn
• Risk Codes: R20/21/22;R36/37/38
• Safety Description: S26;S36

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin irritation	Skin Irrit.	2	H315
Eye irritation	Eye Irrit.	2	H319
Acute toxicity	Acute Tox.	4	H332
Acute toxicity	Acute Tox.	4	H312
Acute toxicity	Acute Tox.	4	H302
Specific target organ toxicity - single exposure	STOT SE	3	H335