2-(4-Bromo-2-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
Danger
- H301 Toxic if swallowed33.3% of notifiers
- H302 Harmful if swallowed66.7% of notifiers
- H311 Toxic in contact with skin33.3% of notifiers
- H312 Harmful in contact with skin66.7% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H331 Toxic if inhaled33.3% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
114897-91-5SMILES
C1=CC(=C(C=C1Br)F)CC#NInChIKey
QLASQEZPJFNZQC-UHFFFAOYSA-NInChI
InChI=1S/C8H5BrFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-Bromo-2-fluorobenzyl cyanide
Work with 2-(4-Bromo-2-fluorophenyl)acetonitrile
Similar compounds
2,4-Difluorophenylacetonitrile656-35-964 % similar
4-Chloro-2-fluorobenzeneacetonitrile75279-53-760 % similar
4-Bromo-2-fluorobenzyl bromide76283-09-558 % similar
2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile239087-11-757 % similar
2,4,5-Trifluorophenylacetonitrile220141-74-256 % similar
2-Fluorobenzeneacetonitrile326-62-556 % similar
4-Bromo-2-fluorobenzenemethanamine112734-22-256 % similar
4-Bromo-2-fluorobenzyl alcohol188582-62-956 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.