2-Bromo-4-(trifluoromethoxy)aniline

C₇H₅BrF₃NOCAS 175278-17-8256.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₅BrF₃NO
Molar mass: 256.02 g/mol
Exact mass: 254.9507 Da
logP: 2.93Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175278-17-8

SMILES

Nc1ccc(OC(F)(F)F)cc1Br

InChIKey

ROSTYHNIIDIBEG-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2

Weigh it out

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

Names and synonyms

4 names

2-Bromo-4-trifluoromethoxyaniline
Benzenamine, 2-bromo-4-(trifluoromethoxy)-
2-Bromo-4-(trifluoromethoxy)benzenamine
2-Bromo-4-(trifluoromethyloxy)aniline

Work with 2-Bromo-4-(trifluoromethoxy)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

1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene286932-57-862 % similar 2,6-Dibromo-4-trifluoromethoxyaniline88149-49-961 % similar 2-Chloro-4-(trifluoromethoxy)aniline69695-61-060 % similar 2-Methyl-4-(trifluoromethoxy)aniline86256-59-960 % similar 2-Fluoro-3-trifluoromethoxy aniline116369-23-457 % similar 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene168971-68-457 % similar 2-Bromo-5-(trifluoromethoxy)phenol205371-26-256 % similar 2-Bromo-4-trifluoromethylaniline57946-63-151 % similar

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

Same formula

5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine1214377-42-0 3-Bromo-2-methoxy-5-(trifluoromethyl)pyridine124432-63-9 4-Bromo-2-(trifluoromethoxy)aniline175278-09-8 3-Bromo-4-(trifluoromethoxy)aniline191602-54-7 5-Bromo-2-(trifluoromethoxy)aniline886762-08-9 2-Bromo-5-(trifluoromethoxy)aniline887267-47-2

Elsewhere

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