chempirical

4-Chloro-1,2-dimethylbenzene

C8H9ClCAS 615-60-1140.61 g/mol

Open in Covalent MOL file
Cl
Aryl halide

Properties

Molecular formula
C8H9Cl
Molar mass
140.61 g/mol
Exact mass
140.0393 Da
Melting point
−6 °C
Boiling point
194 °C
logP
2.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
615-60-1
SMILES
Cc1ccc(Cl)cc1C
InChIKey
HNQLMBJUMVLFCF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 4-chloro-1,2-dimethyl-
  • o-Xylene, 4-chloro-
  • 4-Chloro-o-xylene
  • 1-Chloro-3,4-dimethylbenzene
  • 3,4-Dimethylchlorobenzene
  • p-Chloro-o-xylene
  • 1,2-Dimethyl-4-chlorobenzene
  • 3,4-Dimethylphenyl chloride

Work with 4-Chloro-1,2-dimethylbenzene

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

2,5-Dichlorotoluene19398-61-965 % similar 2,4-Dichlorotoluene95-73-865 % similar 4-Chloro-O-toluidine95-69-263 % similar 1-Bromo-4-chloro-2-methylbenzene14495-51-360 % similar 4-Chloro-2-methylphenol1570-64-560 % similar 2-Bromo-4-chloro-1-methylbenzene27139-97-560 % similar 4-Chloro-1-fluoro-2-methylbenzene452-66-460 % similar 4-Chloro-2-fluoro-1-methylbenzene452-75-560 % similar

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

Same formula

4-Methylbenzyl chloride104-82-5 2-Methylbenzyl chloride552-45-4 1-Chloro-3,5-dimethylbenzene556-97-8 1-Chloro-2,3-dimethylbenzene608-23-1 3-Methylbenzyl chloride620-19-9 Phenylethyl chloride622-24-2 1-Chloro-4-ethylbenzene622-98-0 1-Phenylethyl chloride672-65-1

Elsewhere

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