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(4-bromo-1H-pyrazol-1-yl)acetonitrile

(4-bromo-1H-pyrazol-1-yl)acetonitrile structure

(4-bromo-1H-pyrazol-1-yl)acetonitrile 

structure
  • CAS No:

    925224-08-4

  • Formula:

    C5H4BrN3

  • Chemical Name:

    (4-bromo-1H-pyrazol-1-yl)acetonitrile

  • Synonyms:

    (4-bromo-1H-pyrazol-1-yl)acetonitrile;2-(4-Bromo-1H-pyrazol-1-yl)acetonitrile;2-(4-bromopyrazol-1-yl)acetonitrile;1H-Pyrazole-1-acetonitrile, 4-bromo-;2-(4-bromopyrazolyl)ethanenitrile;SCHEMBL1854337;CTK5I8833;ALBB-004622;ZINC2537512;4-Bromo-1H-pyrazole-1-acetonitrile

  • Categories:

    Chemical Reagents  >  Organic Reagents

(4-bromo-1H-pyrazol-1-yl)acetonitrile Basic Attributes

186.02

184.959

2933199090

Characteristics

41.6

0.8

1.70±0.1 g/cm3 (20 °C, 760 mmHg)

66.0-67.6 °C (hexane)

22.0°C at 760 mmHg

Safety Information

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

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

Computed Properties

Molecular Weight:186.01
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:184.95886
Monoisotopic Mass:184.95886
Topological Polar Surface Area:41.6
Heavy Atom Count:9
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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