chempirical

1-(Dichloromethyl)-4-fluorobenzene

C7H5Cl2FCAS 456-19-9179.02 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
Density
1.3488 g/mL (at 20 °C)
Boiling point
81–83 °C (at 15 Torr)
logP
3.30Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
456-19-9
SMILES
Fc1ccc(C(Cl)Cl)cc1
InChIKey
MFIOEEWGBMJNGG-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H

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Names and synonyms

6 names
  • Benzene, 1-(dichloromethyl)-4-fluoro-
  • Toluene, α,α-dichloro-p-fluoro-
  • p-Fluorobenzal chloride
  • 4-Fluorobenzal chloride
  • α,α-Dichloro-4-fluorotoluene
  • NSC 60716

Work with 1-(Dichloromethyl)-4-fluorobenzene

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

4,4′-Difluorobenzhydryl chloride27064-94-464 % similar Bis(4-fluorophenyl)methanol365-24-250 % similar 1,4-Difluorobenzene540-36-350 % similar Benzal chloride98-87-350 % similar (-)-1-(4-Fluorophenyl)ethanol101219-73-244 % similar 2-(4-Fluorophenyl)oxirane18511-62-144 % similar (+)-1-(4-Fluorophenyl)ethylamine374898-01-844 % similar 1-(4-Fluorophenyl)ethylamine403-40-744 % 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 2-Chloro-6-fluorobenzyl chloride55117-15-2

Elsewhere

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