3,4-Difluorobenzyl chloride

C₇H₅ClF₂CAS 698-80-6162.56 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₅ClF₂
Molar mass: 162.56 g/mol
Exact mass: 162.0048 Da
logP: 2.70Crippen 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

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

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

698-80-6

SMILES

C1=CC(=C(C=C1CCl)F)F

InChIKey

VTGRVYJPIVZZGS-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF2/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.

Work with 3,4-Difluorobenzyl chloride

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-Fluoro-4-chlorobenzyl chloride160658-68-467 % similar 3-Fluoro-4-methoxybenzyl chloride351-52-063 % similar 4-Fluorobenzyl chloride352-11-458 % similar Alpha,alpha'-Dichloro-p-xylene623-25-657 % similar 3,4-Difluorobenzylamine72235-53-156 % similar 3,4-Difluorobenzyl bromide85118-01-056 % similar 3,4-Difluorobenzenemethanol85118-05-456 % similar 4,4′-Bis(chloromethyl)biphenyl1667-10-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Difluorobenzyl chloride220141-71-9 2,3-Difluorobenzyl chloride446-57-1 2,4-Difluorobenzyl chloride452-07-3 2,5-Difluorobenzyl chloride495-07-8 2,6-Difluorobenzyl chloride697-73-4

Elsewhere

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