3,5-Difluorobenzyl chloride

C₇H₅ClF₂CAS 220141-71-9162.56 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

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

220141-71-9

SMILES

C1=C(C=C(C=C1F)F)CCl

InChIKey

VNGSMSFVLAAOGK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF2/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.

Work with 3,5-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-Fluorobenzyl chloride456-42-863 % similar 4-Fluorobenzyl chloride352-11-459 % similar 1-Ethyl-3,5-difluorobenzene117358-52-850 % similar 3,5-Difluorophenylacetonitrile122376-76-550 % similar 3,5-Difluorobenzyl bromide141776-91-250 % similar 1,3,5-Trifluorobenzene372-38-350 % similar 3,5-Difluorobenzyl alcohol79538-20-850 % similar 3,5-Difluorobenzylamine90390-27-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Difluorobenzyl chloride446-57-1 2,4-Difluorobenzyl chloride452-07-3 2,5-Difluorobenzyl chloride495-07-8 2,6-Difluorobenzyl chloride697-73-4 3,4-Difluorobenzyl chloride698-80-6

Elsewhere

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