1-Chloro-3,5-dimethylbenzene

C8H9ClCAS 556-97-8140.61 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
90 °C (at 3.5 Torr)
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 2 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
556-97-8
SMILES
Cc1cc(C)cc(Cl)c1
InChIKey
FKKLHLZFSZGXBN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl/c1-6-3-7(2)5-8(9)4-6/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-3,5-dimethyl-
  • m-Xylene, 5-chloro-
  • 5-Chloro-m-xylene
  • 5-Chloro-1,3-dimethylbenzene
  • 3-Methyl-5-chlorotoluene
  • 3,5-Dimethylchlorobenzene
  • 3,5-Dimethylphenyl chloride

Work with 1-Chloro-3,5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-5-methylbenzenamine29027-20-164 % similar Mesitylene108-67-860 % similar 3-Chlorotoluene108-41-857 % similar 4-Chlorotoluene106-43-450 % similar 1,3,5-Trichlorobenzene108-70-350 % similar M-Xylene108-38-347 % similar 2-Chloromesitylene1667-04-545 % similar 4-Chloro-2,6-dimethylpyridine3512-75-245 % 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-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 1-Phenylethyl chloride672-65-1

Elsewhere

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