1-(Bromomethyl)-3-chloro-5-fluorobenzene

C₇H₅BrClFCAS 493024-39-8223.47 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

H290 May be corrosive to metals14.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

493024-39-8

SMILES

Fc1cc(Cl)cc(CBr)c1

InChIKey

PKSAHOPFPPAUOD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzene, 1-(bromomethyl)-3-chloro-5-fluoro-
3-Chloro-5-fluorobenzyl bromide

Work with 1-(Bromomethyl)-3-chloro-5-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

3,5-Difluorobenzyl bromide141776-91-268 % similar 3-Chloro-5-fluorobenzylamine90390-33-360 % similar 1-Bromo-3-(bromomethyl)-5-fluorobenzene216755-57-657 % similar 3,5-Difluorochlorobenzene1435-43-456 % similar 1,3-Dichloro-5-fluorobenzene1435-46-756 % similar 3-Fluorobenzyl bromide456-41-755 % similar 3-Chloro-5-fluorophenylacetonitrile493038-93-055 % similar 3-Fluoro-5-(trifluoromethyl)benzyl bromide239087-09-352 % 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 2-Chloro-6-fluorobenzyl bromide68220-26-8 4-Chloro-2-fluorobenzyl bromide71916-82-0

Elsewhere

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