2-Chloro-1,3-dimethylbenzene

C8H9ClCAS 6781-98-2140.61 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
Density
1.053 g/mL (at 20 °C)
Melting point
−35 °C
Boiling point
186 °C
logP
2.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6781-98-2
SMILES
Cc1cccc(C)c1Cl
InChIKey
VDXLAYAQGYCQEO-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3

Weigh it out

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Names and synonyms

7 names
  • Benzene, 2-chloro-1,3-dimethyl-
  • m-Xylene, 2-chloro-
  • 1-Chloro-2,6-dimethylbenzene
  • 2-Chloro-m-xylene
  • 2,6-Dimethylchlorobenzene
  • 2,6-Dimethylphenyl chloride
  • 2,6-Dimethyl-1-chlorobenzene

Work with 2-Chloro-1,3-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

2,3-Dichlorotoluene32768-54-070 % similar O-Xylene95-47-653 % similar 1,2,3-Trimethylbenzene526-73-853 % similar 1,5-Dimethylnaphthalene571-61-953 % similar 2-Chloromesitylene1667-04-552 % similar 2-Chlorotoluene95-49-852 % similar 2-Chloro-3-methylbenzoic acid15068-35-650 % similar 2-Chloro-1-methyl-3-nitrobenzene3970-40-950 % 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 4-Chloro-1,2-dimethylbenzene615-60-1 3-Methylbenzyl chloride620-19-9 Phenylethyl chloride622-24-2 1-Chloro-4-ethylbenzene622-98-0

Elsewhere

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