4-Bromo-3-(trifluoromethyl)aniline

C₇H₅BrF₃NCAS 393-36-2240.02 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
Melting point: 55–56 °C
Boiling point: 104–108 °C (at 5 Torr)
logP: 3.05Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed94% of notifiers
H312 Harmful in contact with skin86% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled94% of notifiers
H335 May cause respiratory irritation84% of notifiers

Aggregated from 50 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

393-36-2

SMILES

Nc1ccc(Br)c(C(F)(F)F)c1

InChIKey

YGNISOAUPSJDJE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

Benzenamine, 4-bromo-3-(trifluoromethyl)-
m-Toluidine, 4-bromo-α,α,α-trifluoro-
4-Bromo-3-(trifluoromethyl)benzenamine
4-Bromo-α,α,α-trifluoro-m-toluidine
5-Amino-2-bromobenzotrifluoride
3-Amino-6-bromobenzotrifluoride
NSC 88332
4-Bromo-3-(trifluoromethyl)phenylamine
3-Trifluoromethyl-4-bromoaniline
4-Bromo-3-trifluoromethylbenzeneamine

Work with 4-Bromo-3-(trifluoromethyl)aniline

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

2,2'-Bis(trifluoromethyl)benzidine341-58-262 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-360 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-660 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-260 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-358 % similar 2-Bromo-5-fluorobenzotrifluoride40161-55-558 % similar 2-Bromo-5-methylbenzotrifluoride261952-20-956 % similar 4-Bromo-3-(trifluoromethyl)phenol320-49-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-9

Elsewhere

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