chempirical

2-Chloro-4-fluoro-1-methylbenzene

C7H6ClFCAS 452-73-3144.57 g/mol

Open in Covalent MOL file
FCl
Aryl halide

Properties

Molecular formula
C7H6ClF
Molar mass
144.57 g/mol
Exact mass
144.0142 Da
Density
1.1972 g/mL (at 20 °C)
Boiling point
151.5–153 °C
logP
2.79Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
452-73-3
SMILES
Cc1ccc(F)cc1Cl
InChIKey
CSARJIQZOSVYHA-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 2-chloro-4-fluoro-1-methyl-
  • Toluene, 2-chloro-4-fluoro-
  • 2-Chloro-4-fluorotoluene
  • 4-Fluoro-2-chlorotoluene
  • NSC 88317

Work with 2-Chloro-4-fluoro-1-methylbenzene

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

1,2-Dichloro-4-fluorobenzene1435-49-060 % similar 4-Fluoro-1,2-dimethylbenzene452-64-260 % similar Chloro-P-xylene95-72-758 % similar 2-Chloro-4-fluoro-1-iodobenzene101335-11-957 % similar 2,4-Difluoro-1-methylbenzene452-76-656 % similar 2,4-Dichlorotoluene95-73-856 % similar 4-Fluoro-2-iodo-1-methylbenzene13194-67-754 % similar 2-Chloro-4-iodo-1-methylbenzene83846-48-454 % 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 4-Chloro-2-fluoro-1-methylbenzene452-75-5 3-Fluorobenzyl chloride456-42-8

Elsewhere

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