chempirical

2-Chloro-6-fluorobenzyl chloride

C7H5Cl2FCAS 55117-15-2179.02 g/mol

Open in Covalent MOL file
FClCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H5Cl2F
Molar mass
179.02 g/mol
Exact mass
177.9752 Da
Melting point
41–43 °C
logP
3.22Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
55117-15-2
SMILES
Fc1cccc(Cl)c1CCl
InChIKey
MJGOLNNLNQQIHR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1-chloro-2-(chloromethyl)-3-fluoro-
  • 1-Chloro-2-(chloromethyl)-3-fluorobenzene
  • α,2-Dichloro-6-fluorotoluene
  • 1-Chloro-2-chloromethyl-3-fluorobenzene

Work with 2-Chloro-6-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

2,6-Difluorobenzyl chloride697-73-475 % similar 2,6-Dichlorobenzyl chloride2014-83-767 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-962 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-962 % similar 2-Chloro-6-fluorobenzeneacetonitrile75279-55-956 % similar 1-Chloro-2-fluorobenzene348-51-654 % similar 2-Chloro-6-fluorobenzeneacetic acid37777-76-751 % similar 2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethanamine175136-76-250 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook