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Home > Encyclopedia > 1H-Benzotriazole-1-Acetonitrile

1H-Benzotriazole-1-Acetonitrile

1H-Benzotriazole-1-Acetonitrile structure

1H-Benzotriazole-1-Acetonitrile 

structure
  • CAS No:

    111198-08-4

  • Formula:

    C8H6N4

  • Chemical Name:

    1H-Benzotriazole-1-Acetonitrile

  • Synonyms:

    Benzotriazol-1-ylacetonitrile; 2-(benzotriazol-1-yl)acetonitrile; 2-(1H-Benzo[d][1,2,3]triazol-1-yl)acetonitrile;

1H-Benzotriazole-1-Acetonitrile Basic Attributes

158.16000

158.059246208 g/mol

DTXSID40354897

2933990090

Characteristics

54.50000

0.95488

1.3g/cm3

84-89ºC

371ºC

177.6ºC

1.689

1.13E-05mmHg at 25°C

Safety Information

R20/21/22

S26; S36

Xn

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 127 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:158.16
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:158.059246208
Monoisotopic Mass:158.059246208
Topological Polar Surface Area:54.5
Heavy Atom Count:12
Complexity:206
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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