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

C₈H₅BrClF₃CAS 237761-77-2273.48 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
H318 Causes serious eye damage16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, P501

Identifiers

CAS number

237761-77-2

SMILES

FC(F)(F)c1ccc(Cl)c(CBr)c1

InChIKey

BWOOBQYXRVOJSZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

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

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

2-Chloro-5-(trifluoromethyl)benzyl alcohol64372-62-965 % similar 2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene302911-98-464 % similar 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-062 % similar 2-Bromo-5-(trifluoromethyl)benzyl bromide875664-32-762 % similar 2-(Bromomethyl)-1-iodo-4-(trifluoromethyl)benzene702641-06-360 % similar 2-Chloro-5-(trifluoromethyl)benzeneacetonitrile22902-88-159 % similar 2,4-Bis(trifluoromethyl)benzyl bromide140690-56-859 % similar 3,4-Dichlorobenzotrifluoride328-84-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-3-(trifluoromethyl)benzyl bromide261763-23-9 2-(Bromomethyl)-4-chloro-1-(trifluoromethyl)benzene261763-24-0

Elsewhere

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