4-Chloro-2-fluoro-1-methylbenzene

C7H6ClFCAS 452-75-5144.57 g/mol

Open in Covalent MOL file
ClF
Aryl halide

Properties

Molecular formula
C7H6ClF
Molar mass
144.57 g/mol
Exact mass
144.0142 Da
Boiling point
158 °C (at 743 Torr)
logP
2.79Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
452-75-5
SMILES
Cc1ccc(Cl)cc1F
InChIKey
MKFCYQTVSDCXAQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

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

Work with 4-Chloro-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-1,2-dimethylbenzene615-60-160 % similar 4-Chloro-1,2-difluorobenzene696-02-660 % similar 4-Chloro-2-fluoro-1-iodobenzene6797-79-157 % similar 2,5-Dichlorofluorobenzene348-59-456 % similar 2,4-Difluoro-1-methylbenzene452-76-656 % similar 2,4-Dichlorotoluene95-73-856 % similar 4-Chloro-2-iodotoluene33184-48-454 % similar 2-Fluoro-4-iodo-1-methylbenzene39998-81-754 % 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 3-Fluorobenzyl chloride456-42-8

Elsewhere

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