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Home > Encyclopedia > 3-(3-BROMOPHENYL)PROPIONITRILE

3-(3-BROMOPHENYL)PROPIONITRILE

3-(3-BROMOPHENYL)PROPIONITRILE structure

3-(3-BROMOPHENYL)PROPIONITRILE 

structure
  • CAS No:

    376646-63-8

  • Formula:

    C9H8BrN

  • Chemical Name:

    3-(3-BROMOPHENYL)PROPIONITRILE

  • Synonyms:

    3-(3-bromophenyl)propanenitrile;3-(3-Bromophenyl)propionitrile;Benzenepropanenitrile,3-bromo-;3-(3-bromo-phenyl)-propionitrile;SCHEMBL521090;CTK4H8593;DTXSID00370831;ZINC2574310;1944AE;MFCD01310794

3-(3-BROMOPHENYL)PROPIONITRILE Basic Attributes

210.07

208.98400

DTXSID00370831

2926909090

Characteristics

23.8

2.90528

1.416g/cm3

113°C1mm

151.5ºC

1.561

Safety Information

IRRITANT, IRRITANT-HARMFUL

3276

20/21/22-36/37/38-52

26-36/37/39

Xi

Irritant

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, P501

H302

|Warning|H302 (50%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:210.07
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:208.98401
Monoisotopic Mass:208.98401
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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