2-Bromo-5-trifluoromethylaniline

C₇H₅BrF₃NCAS 454-79-5240.02 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
Density: 1.694 g/mL (at 25 °C)
Boiling point: 81–82 °C (at 5 Torr)
logP: 3.05Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed16.7% of notifiers
H314 Causes severe skin burns and eye damage85.4% of notifiers
H315 Causes skin irritation16.7% of notifiers
H318 Causes serious eye damage83.3% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H332 Harmful if inhaled16.7% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

454-79-5

SMILES

Nc1cc(C(F)(F)F)ccc1Br

InChIKey

PZDVFXUBTKPFSG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

9 names

Benzenamine, 2-bromo-5-(trifluoromethyl)-
m-Toluidine, 2-bromo-α,α,α-trifluoro-
2-Bromo-5-(trifluoromethyl)benzenamine
3-Amino-4-bromobenzotrifluoride
4-Bromo-3-aminobenzotrifluoride
2-Bromo-5-trifluoromethylphenylamine
NSC 88276
2-Amino-4-trifluoromethyl-1-bromobenzene
5-Trifluoromethyl-2-bromoaniline

Work with 2-Bromo-5-trifluoromethylaniline

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

3,4-Diaminobenzotrifluoride368-71-864 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-360 % similar 2,5-Bis(trifluoromethyl)aniline328-93-860 % similar 4-Bromo-3-fluorobenzotrifluoride40161-54-460 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-259 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-458 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-656 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-656 % 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 3-Bromo-5-(trifluoromethyl)aniline54962-75-3 2-Bromo-4-trifluoromethylaniline57946-63-1 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-9

Elsewhere

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