3-Fluoro-4-bromoobenzyl cyanide
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 swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H330 Fatal if inhaled50% of notifiers
- H331 Toxic if inhaled50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P361+P364, P403+P233, P405, P501
Identifiers
CAS number
499983-13-0SMILES
C1=CC(=C(C=C1CC#N)F)BrInChIKey
CGDCFGJXTOGEGD-UHFFFAOYSA-NInChI
InChI=1S/C8H5BrFN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-(4-Bromo-3-fluorophenyl)acetonitrile
Work with 3-Fluoro-4-bromoobenzyl cyanide
Similar compounds
3,4-Difluorobenzeneacetonitrile658-99-168 % similar
(4-Chloro-3-fluoro-phenyl)-acetonitrile251570-03-360 % similar
1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-458 % similar
(4-Bromo-3-fluorophenyl)methanol222978-01-056 % similar
3-Fluoro-4-methoxyphenylacetonitrile404-90-055 % similar
3,4,5-Trifluorophenylacetonitrile220228-03-555 % similar
4-Fluoro-3-(trifluoromethyl)benzeneacetonitrile220239-65-653 % similar
4-Bromo-3-fluorobenzonitrile133059-44-651 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.