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

C₇H₅BrClFCAS 206362-80-3223.47 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 metals11.1% of notifiers
H302 Harmful if swallowed22.2% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H314 Causes severe skin burns and eye damage77.8% of notifiers
H315 Causes skin irritation11.1% of notifiers
H318 Causes serious eye damage22.2% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

206362-80-3

SMILES

Fc1cc(CBr)ccc1Cl

InChIKey

CNUYBEIHDWMLSD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzene, 4-(bromomethyl)-1-chloro-2-fluoro-
4-Chloro-3-fluorobenzyl bromide

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

3,4-Dichlorobenzyl bromide18880-04-164 % similar 3,4-Difluorobenzyl bromide85118-01-064 % similar 3-Fluoro-4-chlorobenzyl chloride160658-68-463 % similar (4-Chloro-3-fluorophenyl)methanamine72235-58-661 % similar 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-458 % similar 3-Fluoro-4-methylbenzyl bromide145075-44-156 % similar (4-Chloro-3-fluoro-phenyl)-acetonitrile251570-03-356 % similar 4-Chloro-3-(trifluoromethyl)benzyl bromide261763-23-956 % 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 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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