chempirical

3-Fluorobenzyl chloride

C7H6ClFCAS 456-42-8144.57 g/mol

Open in Covalent MOL file
FCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H6ClF
Molar mass
144.57 g/mol
Exact mass
144.0142 Da
Density
1.2135 g/mL (at 20 °C)
Melting point
34.5–36 °C
Boiling point
67–68 °C
logP
2.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
456-42-8
SMILES
Fc1cccc(CCl)c1
InChIKey
XBDXMDVEZLOGMC-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1-(chloromethyl)-3-fluoro-
  • Toluene, α-chloro-m-fluoro-
  • 1-(Chloromethyl)-3-fluorobenzene
  • m-Fluorobenzyl chloride
  • α-Chloro-3-fluorotoluene
  • α-Chloro-m-fluorotoluene
  • 3-Fluorophenylmethyl chloride
  • NSC 60720

Work with 3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Bis(chloromethyl)benzene626-16-468 % similar 3-Chlorobenzyl chloride620-20-258 % similar 3-Fluorobenzylamine100-82-356 % similar 3-Fluorobenzyl bromide456-41-756 % similar 3-Fluorobenzyl alcohol456-47-356 % similar 3-Methylbenzyl chloride620-19-954 % similar 3-(Trifluoromethyl)benzyl chloride705-29-353 % similar Benzyl chloride100-44-750 % similar

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

Same formula

2-Chloro-1-fluoro-4-methylbenzene1513-25-3 1-Chloro-4-fluoro-2-methylbenzene33406-96-1 2-Fluorobenzyl chloride345-35-7 4-Fluorobenzyl chloride352-11-4 2-Chloro-6-fluorotoluene443-83-4 4-Chloro-1-fluoro-2-methylbenzene452-66-4 2-Chloro-4-fluoro-1-methylbenzene452-73-3 4-Chloro-2-fluoro-1-methylbenzene452-75-5

Elsewhere

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