2-Bromo-4-trifluoromethylaniline

C₇H₅BrF₃NCAS 57946-63-1240.02 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 swallowed15.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled15.2% of notifiers
H335 May cause respiratory irritation87% of notifiers

Aggregated from 46 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

57946-63-1

SMILES

Nc1ccc(C(F)(F)F)cc1Br

InChIKey

QKRJIXSZTKOFTD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Benzenamine, 2-bromo-4-(trifluoromethyl)-
2-Bromo-4-(trifluoromethyl)benzenamine
3-Bromo-4-aminobenzotrifluoride
2-Bromo-4-trifluoromethylphenylamine
4-Trifluoromethyl-2-bromoaniline
4-Amino-3-bromobenzotrifluoride

Work with 2-Bromo-4-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 2-Bromo-4-(tert-butyl)aniline103273-01-461 % similar 2,4-Bis(trifluoromethyl)aniline367-71-560 % similar 2,5-Bis(trifluoromethyl)bromobenzene7617-93-860 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-259 % similar 3-Bromo-4-fluorobenzotrifluoride68322-84-958 % similar 2-Fluoro-4-(trifluoromethyl)aniline69409-98-958 % similar 4-Amino-3,5-dibromobenzotrifluoride72678-19-457 % 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-3-(trifluoromethyl)benzenamine58458-10-9

Elsewhere

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