chempirical

1-Chloro-2,3-dimethylbenzene

C8H9ClCAS 608-23-1140.61 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
Boiling point
187–190 °C
logP
2.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
608-23-1
SMILES
Cc1cccc(Cl)c1C
InChIKey
NVLHGZIXTRYOKT-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1-chloro-2,3-dimethyl-
  • o-Xylene, 3-chloro-
  • 3-Chloro-o-xylene
  • 3-Chloro-1,2-dimethylbenzene
  • 2,3-Dimethylchlorobenzene
  • 1,2-Dimethyl-3-chlorobenzene
  • 2,3-Dimethyl-1-chlorobenzene

Work with 1-Chloro-2,3-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

2,6-Dichlorotoluene118-69-470 % similar 2,3-Dichlorotoluene32768-54-058 % similar 2-Bromo-6-chlorotoluene62356-27-856 % similar 3-Chloro-2-methylaniline87-60-556 % similar 3-Chloro-2-methylphenol3260-87-554 % similar 2-Chloro-6-fluorotoluene443-83-454 % similar 1-Chloro-2-fluoro-3-methylbenzene85089-31-254 % similar 2-Chloro-6-methylaniline87-63-854 % 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 4-Chloro-1,2-dimethylbenzene615-60-1 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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