2-Bromo-3-(trifluoromethyl)benzenamine

C₇H₅BrF₃NCAS 58458-10-9240.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₅BrF₃N
Molar mass: 240.02 g/mol
Exact mass: 238.9557 Da
logP: 3.05Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

58458-10-9

SMILES

Nc1cccc(C(F)(F)F)c1Br

InChIKey

XIUJCAJFRWDEKE-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF3N/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3H,12H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzenamine, 2-bromo-3-(trifluoromethyl)-
2-Bromo-3-(trifluoromethyl)aniline

Work with 2-Bromo-3-(trifluoromethyl)benzenamine

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-Bromo-1,3-bis(trifluoromethyl)benzene118527-30-369 % similar 2-(Trifluoromethyl)aniline88-17-561 % similar 2-Methyl-3-(trifluoromethyl)aniline54396-44-060 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-358 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-158 % similar 2-Bromo-1-chloro-3-(trifluoromethyl)benzene384-16-758 % similar 2-Chloro-3-(trifluoromethyl)aniline62476-58-858 % similar 2-Bromo-3,5-bis(trifluoromethyl)aniline174824-16-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3-(trifluoromethyl)aniline393-36-2 4-Bromo-2-(trifluoromethyl)aniline445-02-3 2-Bromo-5-trifluoromethylaniline454-79-5 3-Bromo-5-(trifluoromethyl)aniline54962-75-3 2-Bromo-4-trifluoromethylaniline57946-63-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook