2-(Bromomethyl)-1-chloro-4-fluorobenzene

C₇H₅BrClFCAS 81778-09-8223.47 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₅BrClF
Molar mass: 223.47 g/mol
Exact mass: 221.9247 Da
logP: 3.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor97.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

81778-09-8

SMILES

Fc1ccc(Cl)c(CBr)c1

InChIKey

AUVLFQDKJFSFIX-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrClF/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2

Weigh it out

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

Names and synonyms

4 names

Benzene, 2-(bromomethyl)-1-chloro-4-fluoro-
α-Bromo-2-chloro-5-fluorotoluene
2-Chloro-5-fluorobenzyl bromide
1-Chloro-2-(bromomethyl)-4-fluorobenzene

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

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

1-(2-Chloro-5-fluorophenyl)methanamine202522-23-461 % similar 2-Chloro-5-fluorobenzenemethanol261762-59-861 % similar 2,5-Difluorobenzyl bromide85117-99-360 % similar 2,5-Dichlorobenzyl bromide85482-13-960 % similar 1-Bromo-2-(bromomethyl)-4-fluorobenzene112399-50-558 % similar 2-(Bromomethyl)-4-fluoro-1-methylbenzene261951-71-756 % similar 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-256 % similar 2-Chlorobenzyl bromide611-17-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-fluorobenzyl bromide192702-01-5 1-Bromo-2-chloro-5-fluoro-4-methylbenzene201849-17-4 1-Bromo-2-chloro-4-fluoro-5-methylbenzene201849-18-5 1-Bromo-2-chloro-4-fluoro-3-methylbenzene203302-92-5 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-3 2-Chloro-4-fluorobenzyl bromide45767-66-6 1-(Bromomethyl)-3-chloro-5-fluorobenzene493024-39-8 2-Chloro-6-fluorobenzyl bromide68220-26-8

Elsewhere

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