2-Bromo-5-(trifluoromethyl)benzonitrile

C₈H₃BrF₃NCAS 1483-55-2250.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

1483-55-2

SMILES

N#Cc1cc(C(F)(F)F)ccc1Br

InChIKey

ICEINTPQBJRYDE-UHFFFAOYSA-N

InChI

InChI=1S/C8H3BrF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H

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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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-5-(trifluoromethyl)benzonitrile328-87-060 % similar 2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-057 % similar 2-Bromo-5-fluorobenzonitrile57381-39-256 % similar 2-Amino-4-(trifluoromethyl)benzonitrile1483-54-156 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-355 % similar 2-Bromo-5-trifluoromethylaniline454-79-551 % similar 4-(Trifluoromethyl)benzonitrile455-18-548 % similar 2-Bromobenzonitrile2042-37-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-2-(trifluoromethyl)benzonitrile1208076-28-1 2-Bromo-4-(trifluoromethyl)benzonitrile35764-15-9

Elsewhere

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