4-Chloro-1,2-dimethylbenzene
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
Hazards
Warning
- H315 Causes skin irritation98% of notifiers
- H319 Causes serious eye irritation91.8% of notifiers
- H335 May cause respiratory irritation89.8% of notifiers
Aggregated from 49 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
615-60-1SMILES
Cc1ccc(Cl)cc1CInChIKey
HNQLMBJUMVLFCF-UHFFFAOYSA-NInChI
InChI=1S/C8H9Cl/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3Weigh 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-1-iodo-2-methylbenzene23399-70-463 % similar
4-Chloro-2-iodotoluene33184-48-463 % 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
Tanimoto similarity of circular fingerprints over the whole catalogue.