(3-Bromophenyl)acetonitrile
Properties
- Molecular formula
- C8H6BrN
- Molar mass
- 196.05 g/mol
- Exact mass
- 194.9684 Da
- Boiling point
- 135–138 °C (at 8 Torr)
- logP
- 2.52Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed89.4% of notifiers
- H312 Harmful in contact with skin89.4% of notifiers
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation97.9% of notifiers
- H332 Harmful if inhaled87.2% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
31938-07-5SMILES
N#CCc1cccc(Br)c1InChIKey
UUZYFBXKWIQKTF-UHFFFAOYSA-NInChI
InChI=1S/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzeneacetonitrile, 3-bromo-
- Acetonitrile, (m-bromophenyl)-
- 3-Bromobenzeneacetonitrile
- m-Bromobenzyl cyanide
- 3-Bromobenzyl cyanide
- 1-Bromo-3-cyanomethylbenzene
- 3-Bromobenzylnitrile
- 2-(3-Bromophenyl)acetonitrile
Work with (3-Bromophenyl)acetonitrile
Similar compounds
1,3-Benzenediacetonitrile626-22-269 % similar
3-Chlorobenzeneacetonitrile1529-41-558 % similar
3-Fluorobenzeneacetonitrile501-00-858 % similar
3-Iodophenylacetonitrile130723-54-556 % similar
(3-Methylphenyl)acetonitrile2947-60-656 % similar
Benzyl cyanide140-29-456 % similar
3-Bromobenzyl bromide823-78-953 % similar
(3-Phenoxyphenyl)acetonitrile51632-29-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds