4-Chloro-2-fluorobenzyl chloride

C₇H₅Cl₂FCAS 87417-71-8179.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₅Cl₂F
Molar mass: 179.02 g/mol
Exact mass: 177.9752 Da
logP: 3.22Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

87417-71-8

SMILES

C1=CC(=C(C=C1Cl)F)CCl

InChIKey

CMGAVHMLDNAXBU-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2

Weigh it out

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Names and synonyms

1 names

4-Chloro-1-(chloromethyl)-2-fluorobenzene

Work with 4-Chloro-2-fluorobenzyl 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-fluorobenzenemethanol56456-49-663 % similar 4-Chloro-2-fluorobenzyl bromide71916-82-063 % similar 4-Chloro-2-fluorobenzylamine72235-57-563 % similar 2,4-Difluorobenzyl chloride452-07-362 % similar 2,4-Dichlorobenzyl chloride94-99-559 % similar 4-Bromo-2-fluorobenzyl chloride85510-82-358 % similar (4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-658 % similar 4-Chloro-2-fluorobenzeneacetonitrile75279-53-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Fluoro-4-chlorobenzyl chloride160658-68-4 1-(Dichloromethyl)-2-fluorobenzene320-65-0 1-(Dichloromethyl)-3-fluorobenzene402-64-2 1-(Dichloromethyl)-4-fluorobenzene456-19-9 2-Chloro-6-fluorobenzyl chloride55117-15-2

Elsewhere

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