4-Bromo-2-fluoro-5-(trifluoromethyl)benzenamine

C₇H₄BrF₄NCAS 104460-70-0258.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₄BrF₄N
Molar mass: 258.01 g/mol
Exact mass: 256.9463 Da
logP: 3.19Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed85.7% of notifiers
H312 Harmful in contact with skin85.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled85.7% of notifiers
H335 May cause respiratory irritation42.9% of notifiers

Aggregated from 7 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

104460-70-0

SMILES

Nc1cc(C(F)(F)F)c(Br)cc1F

InChIKey

UYVDMCXPDGRLEC-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF4N/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H,13H2

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

Names and synonyms

2 names

Benzenamine, 4-bromo-2-fluoro-5-(trifluoromethyl)-
4-Bromo-2-fluoro-5-(trifluoromethyl)aniline

Work with 4-Bromo-2-fluoro-5-(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

2,4-Difluoro-5-(trifluoromethyl)aniline261944-56-367 % similar 4-Amino-2,5-difluorobenzotrifluoride114973-22-761 % similar 2-Bromo-4,5-di(trifluoromethyl)aniline230295-15-561 % similar 4-Bromo-2,5-difluoroaniline112279-60-460 % similar 5-Bromo-2,4-difluoroaniline452-92-655 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-249 % similar 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-946 % similar 2-Bromo-5-fluorobenzotrifluoride40161-55-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4-fluoro-5-(trifluoromethyl)aniline193090-60-7 2-Bromo-4-fluoro-6-(trifluoromethyl)benzenamine875664-27-0 4-Bromo-2-fluoro-6-(trifluoromethyl)benzenamine875664-46-3

Elsewhere

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