Chloro-p-xylene

C8H9ClCAS 95-72-7140.61 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
1.0589 g/mL (at 15 °C)
Melting point
1.6 °C
Boiling point
187 °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 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
95-72-7
SMILES
Cc1ccc(C)c(Cl)c1
InChIKey
KZNRNQGTVRTDPN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3

Weigh it out

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Names and synonyms

10 names
  • Benzene, 2-chloro-1,4-dimethyl-
  • p-Xylene, 2-chloro-
  • 2-Chloro-1,4-dimethylbenzene
  • 2-Chloro-p-xylene
  • 1-Chloro-2,5-dimethylbenzene
  • 2,5-Dimethylchlorobenzene
  • Monochloro-p-xylene
  • 1,4-Dimethyl-2-chlorobenzene
  • NSC 60148
  • 2,5-Dimethyl-1-chlorobenzene

Work with Chloro-p-xylene

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

4-Chloro-M-xylene95-66-970 % similar 3,4-Dichlorotoluene95-75-064 % similar 2,4-Dichlorotoluene95-73-863 % similar 2-Chloro-1-iodo-4-methylbenzene116632-42-960 % similar 2-Chloro-4-iodo-1-methylbenzene83846-48-460 % similar 1,2,4-Trimethylbenzene95-63-659 % similar 2-Chloro-4-fluoro-1-methylbenzene452-73-358 % similar 3-Chloro-4-methylphenol615-62-358 % 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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