3-Chloro-2-fluorobenzyl bromide

C₇H₅BrClFCAS 85070-47-9223.47 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 metals12.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage12.5% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers
H341 Suspected of causing genetic defects25% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

85070-47-9

SMILES

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

InChIKey

HYILLTADABKYHO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1-(Bromomethyl)-3-chloro-2-fluorobenzene

Work with 3-Chloro-2-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

2,3-Difluorobenzyl bromide113211-94-264 % similar 2-Chlorobenzyl bromide611-17-663 % similar 1-Bromo-3-(bromomethyl)-2-fluorobenzene149947-16-062 % similar 3-Chloro-2-fluorobenzenemethanamine72235-55-360 % similar 2,3-Dichlorobenzyl bromide57915-78-359 % similar 2-Fluoro-3-methylbenzyl bromide151412-12-358 % similar 1,3-Dichloro-2-fluorobenzene2268-05-556 % similar 1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene184970-25-055 % 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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