5-Bromo-2-(trifluoromethoxy)aniline

C₇H₅BrF₃NOCAS 886762-08-9256.02 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

Danger

H301 Toxic if swallowed90.3% of notifiers
H315 Causes skin irritation100% of notifiers

Aggregated from 31 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P280, P301+P316, P302+P352, P321, P330, P332+P317, P362+P364, P405, P501

Identifiers

CAS number

886762-08-9

SMILES

C1=CC(=C(C=C1Br)N)OC(F)(F)F

InChIKey

FOJWHUFRHXEUBA-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

3-Amino-4-(trifluoromethoxy)bromobenzene

Work with 5-Bromo-2-(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

4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-664 % similar 5-Bromo-2-methoxyaniline6358-77-658 % similar 5-Bromo-2-(trifluoromethoxy)benzaldehyde923281-52-157 % similar 4-Bromo-2-(trifluoromethoxy)iodobenzene175278-12-356 % similar 4-Bromo-2-(trifluoromethoxy)thiophenol175278-15-656 % similar 2-Trifluoromethoxyaniline1535-75-755 % similar 4-Bromo-2-(trifluoromethoxy)benzaldehyde220996-80-551 % similar 3-Nitro-4-(trifluoromethoxy)bromobenzene95668-20-551 % 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 2-Bromo-4-(trifluoromethoxy)aniline175278-17-8 3-Bromo-4-(trifluoromethoxy)aniline191602-54-7 2-Bromo-5-(trifluoromethoxy)aniline887267-47-2

Elsewhere

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