2,4-Difluorobenzyl chloride

C₇H₅ClF₂CAS 452-07-3162.56 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 metals14.3% of notifiers
H302 Harmful if swallowed14.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage28.6% of notifiers
H332 Harmful if inhaled14.3% 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, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, P501

Identifiers

CAS number

452-07-3

SMILES

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

InChIKey

XPGHWBDZNQUUQD-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF2/c8-4-5-1-2-6(9)3-7(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-(Chloromethyl)-2,4-difluorobenzene

Work with 2,4-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

4-Chloro-2-fluorobenzyl chloride87417-71-862 % similar 2-Chloro-1-(chloromethyl)-4-fluorobenzene93286-22-762 % similar 4-Bromo-2-fluorobenzyl chloride85510-82-360 % similar 2,4-Difluorobenzyl bromide23915-07-359 % similar 2,4-Difluorobenzenemethanol56456-47-459 % similar 2,4-Difluorobenzylamine72235-52-059 % similar 1-(Chloromethyl)-2,4,5-trifluorobenzene243139-71-156 % similar 2-Fluorobenzyl chloride345-35-754 % 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 2,5-Difluorobenzyl chloride495-07-8 2,6-Difluorobenzyl chloride697-73-4 3,4-Difluorobenzyl chloride698-80-6

Elsewhere

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