2-Bromo-5-(trifluoromethyl)benzonitrile
Properties
- Molecular formula
- C8H3BrF3N
- Molar mass
- 250.02 g/mol
- Exact mass
- 248.9401 Da
- Melting point
- 50.1 °C
- Boiling point
- 107–115 °C (at 10 Torr)
- logP
- 3.34Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation97.6% of notifiers
- H319 Causes serious eye irritation97.6% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1483-55-2SMILES
N#Cc1cc(C(F)(F)F)ccc1BrInChIKey
ICEINTPQBJRYDE-UHFFFAOYSA-NInChI
InChI=1S/C8H3BrF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzonitrile, 2-bromo-5-(trifluoromethyl)-
- m-Tolunitrile, 6-bromo-α,α,α-trifluoro-
- 2-Cyano-4-trifluoromethylbromobenzene
Work with 2-Bromo-5-(trifluoromethyl)benzonitrile
Similar compounds
2,5-Bis(trifluoromethyl)benzonitrile51012-27-264 % similar
3-Cyano-4-fluorobenzotrifluoride4088-84-062 % similar
2-Chloro-5-(trifluoromethyl)benzonitrile328-87-060 % similar
2,4-Bis(trifluoromethyl)benzonitrile177952-38-459 % similar
2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-057 % similar
1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-056 % similar
2-Bromo-5-fluorobenzonitrile57381-39-256 % similar
2-Amino-4-(trifluoromethyl)benzonitrile1483-54-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.