3-Chloro-4-fluorobenzyl bromide

C₇H₅BrClFCAS 192702-01-5223.47 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

H302 Harmful if swallowed83% of notifiers
H314 Causes severe skin burns and eye damage97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

192702-01-5

SMILES

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

InChIKey

GGTQWWTYUKXFPP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

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

Work with 3-Chloro-4-fluorobenzyl 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

3,4-Dichlorobenzyl bromide18880-04-164 % similar 3,4-Difluorobenzyl bromide85118-01-064 % similar 3-Chloro-4-fluorobenzyl alcohol161446-90-861 % similar 3-Chloro-4-fluorobenzylamine72235-56-461 % similar 3-Bromo-4-fluorobenzyl bromide78239-71-158 % similar 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-453 % similar 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-153 % similar 3-Chloro-4-fluorophenylacetic acid705-79-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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 4-Chloro-2-fluorobenzyl bromide71916-82-0

Elsewhere

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