chempirical

2-Chlorotoluene

C7H7ClCAS 95-49-8126.58 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
1.0826 g/mL (at 20 °C)
Melting point
−35.59 °C
Boiling point
158.97 °C
Flash point
43 °C (closed cup)
Water solubility
miscible
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
95-49-8
SMILES
Cc1ccccc1Cl
InChIKey
IBSQPLPBRSHTTG-UHFFFAOYSA-N
InChI
InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzene, 1-chloro-2-methyl-
  • Toluene, o-chloro-
  • 1-Chloro-2-methylbenzene
  • 2-Chloro-1-methylbenzene
  • o-Chlorotoluene
  • 1-Methyl-2-chlorobenzene
  • o-Tolyl chloride
  • 2-Methylchlorobenzene
  • o-Methylchlorobenzene
  • 2-Methylphenyl chloride
  • NSC 8766
  • 2-Tolyl chloride
  • 2-Methyl-1-chlorobenzene

Reactions

Work with 2-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

2,3-Dichlorotoluene32768-54-064 % similar 1-Chloro-2,3-dimethylbenzene608-23-164 % similar 3-Chloro-2-iodotoluene5100-98-161 % similar 1-Chloro-2-fluoro-3-methylbenzene85089-31-258 % similar 2-Chloro-6-methylaniline87-63-858 % similar 2-Chloro-6-methylphenol87-64-958 % similar 2-Chloro-6-methylbenzonitrile6575-09-358 % similar Chloro-p-xylene95-72-757 % similar

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

Same formula

Benzyl chloride100-44-7 4-Chlorotoluene106-43-4 3-Chlorotoluene108-41-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook