chempirical

3-Chlorotoluene

C7H7ClCAS 108-41-8126.58 g/mol

Open in Covalent MOL file
Cl
Aryl halide

Properties

Molecular formula
C7H7Cl
Molar mass
126.58 g/mol
Exact mass
126.0236 Da
Density
1.0722 g/mL (at 20 °C)
Melting point
−47.8 °C
Boiling point
161.8 °C
Flash point
52.2 °C
logP
2.65Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P261, P271, P273, P304+P340, P317, P391, P501

Identifiers

CAS number
108-41-8
SMILES
Cc1cccc(Cl)c1
InChIKey
OSOUNOBYRMOXQQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-chloro-3-methyl-
  • Toluene, m-chloro-
  • 1-Chloro-3-methylbenzene
  • 3-Chloro-1-methylbenzene
  • m-Tolyl chloride
  • 1-Methyl-3-chlorobenzene
  • 3-Methylchlorobenzene
  • m-Chlorotoluene
  • m-Methylchlorobenzene
  • NSC 8767
  • 3-Methylphenyl chloride

Work with 3-Chlorotoluene

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

M-Xylene108-38-363 % similar 1,3-Dichlorobenzene541-73-158 % similar 1-Chloro-3,5-dimethylbenzene556-97-857 % similar 3,3'-Dimethylbiphenyl612-75-955 % similar Chlorobenzene108-90-750 % similar Dimethyl-m-toluidine121-72-250 % similar 3,3'-Dichloro diphenyl disulfide19742-92-850 % similar 3-Chlorobiphenyl2051-61-850 % similar

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

Same formula

Benzyl chloride100-44-7 4-Chlorotoluene106-43-4 2-Chlorotoluene95-49-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook