2-Chloro-1-fluoro-4-methylbenzene

C7H6ClFCAS 1513-25-3144.57 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
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 39 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
1513-25-3
SMILES
Cc1ccc(F)c(Cl)c1
InChIKey
IKNQPNLSEBWZKX-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 2-chloro-1-fluoro-4-methyl-
  • Toluene, 3-chloro-4-fluoro-
  • 3-Chloro-4-fluorotoluene

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

1-Chloro-2-fluoro-4-methylbenzene5527-94-672 % similar 3,4-Difluorotoluene2927-34-663 % similar 3,4-Dichlorotoluene95-75-058 % similar 2,4-Dichlorofluorobenzene1435-48-958 % similar 1-Chloro-2,5-difluorobenzene2367-91-158 % similar Chloro-p-xylene95-72-754 % similar 2-Chloro-1-fluoro-4-iodobenzene156150-67-354 % similar 3-Chloro-4-fluorophenol2613-23-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 3-Fluorobenzyl chloride456-42-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook