2-Bromo-5-(trifluoromethoxy)aniline

C₇H₅BrF₃NOCAS 887267-47-2256.02 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

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 2 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, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

887267-47-2

SMILES

C1=CC(=C(C=C1OC(F)(F)F)N)Br

InChIKey

MMRYEBVMIOYMIF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Bromo-5-(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

2-Fluoro-3-trifluoromethoxy aniline116369-23-462 % similar 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene168971-68-462 % similar 2-Bromo-5-(trifluoromethoxy)phenol205371-26-260 % similar 2-Bromo-5-methoxybenzenamine59557-92-558 % similar 1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene286932-57-857 % similar 2,6-Dibromo-4-trifluoromethoxyaniline88149-49-956 % similar 2-Chloro-4-(trifluoromethoxy)aniline69695-61-056 % similar 2-Methyl-4-(trifluoromethoxy)aniline86256-59-956 % 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 5-Bromo-2-(trifluoromethoxy)aniline886762-08-9

Elsewhere

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