2-(Bromomethyl)-4-chloro-1-(trifluoromethyl)benzene

C₈H₅BrClF₃CAS 261763-24-0273.48 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₅BrClF₃
Molar mass: 273.48 g/mol
Exact mass: 271.9215 Da
logP: 4.25Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

261763-24-0

SMILES

FC(F)(F)c1ccc(Cl)cc1CBr

InChIKey

OUNFGTVHRCWPKY-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrClF3/c9-4-5-3-6(10)1-2-7(5)8(11,12)13/h1-3H,4H2

Weigh it out

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

Names and synonyms

3 names

Benzene, 2-(bromomethyl)-4-chloro-1-(trifluoromethyl)-
5-Chloro-2-(trifluoromethyl)benzyl bromide
2-(Bromomethyl)-4-chloro-1-trifluoromethylbenzene

Work with 2-(Bromomethyl)-4-chloro-1-(trifluoromethyl)benzene

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

[5-Chloro-2-(trifluoromethyl)phenyl]methanol261763-21-765 % similar 2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene302911-98-464 % similar 5-Fluoro-2-(trifluoromethyl)benzyl bromide239135-48-962 % similar 2-(Bromomethyl)-4-chloro-1-fluorobenzene71916-91-156 % similar 2,4-Dichlorobenzotrifluoride320-60-555 % similar 2-Trifluoromethylbenzyl bromide395-44-855 % similar 2,5-Dichlorobenzyl bromide85482-13-955 % similar 2-Bromo-5-chlorobenzyl bromide66192-24-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-2 4-Chloro-3-(trifluoromethyl)benzyl bromide261763-23-9

Elsewhere

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