2-(3-Bromo-4-fluorophenyl)acetonitrile
Properties
- Molecular formula
- C8H5BrFN
- Molar mass
- 214.04 g/mol
- Exact mass
- 212.9589 Da
- logP
- 2.65Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
501420-63-9SMILES
C1=CC(=C(C=C1CC#N)Br)FInChIKey
ORKCKZRBHXMWBO-UHFFFAOYSA-NInChI
InChI=1S/C8H5BrFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-Bromo-4-fluorobenzeneacetonitrile
Work with 2-(3-Bromo-4-fluorophenyl)acetonitrile
Similar compounds
3,4-Difluorobenzeneacetonitrile658-99-168 % similar
3-Bromo-4-fluorobenzyl bromide78239-71-158 % similar
4-Fluoro-3-(trifluoromethyl)benzeneacetonitrile220239-65-657 % similar
3-Bromo-4-fluorobenzenemethanol77771-03-056 % similar
(4-Chloro-3-fluoro-phenyl)-acetonitrile251570-03-356 % similar
3-Bromo-4-methoxyphenylacetonitrile772-59-855 % similar
3-Bromo-4-fluorobenzonitrile79630-23-251 % similar
3-Fluoro-4-methoxyphenylacetonitrile404-90-051 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.