4-Chloro-3-(trifluoromethyl)benzyl bromide

C₈H₅BrClF₃CAS 261763-23-9273.48 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 44 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

261763-23-9

SMILES

C1=CC(=C(C=C1CBr)C(F)(F)F)Cl

InChIKey

LZLIPLUATRVXSB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Chloro-3-(trifluoromethyl)benzyl bromide

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-Chloro-3-(trifluoromethyl)benzylamine62039-92-365 % similar 4-Chloro-3-(trifluoromethyl)benzyl alcohol65735-71-965 % similar 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-162 % similar 3,4-Dichlorobenzyl bromide18880-04-158 % similar 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene213203-65-757 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-356 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-256 % similar 4-(Bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene261951-89-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-2 2-(Bromomethyl)-4-chloro-1-(trifluoromethyl)benzene261763-24-0

Elsewhere

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