4-Chlorotoluene
Properties
- Molecular formula
- C7H7Cl
- Molar mass
- 126.58 g/mol
- Exact mass
- 126.0236 Da
- Density
- 1.0697 g/mL (at 20 °C)
- Melting point
- 7.5 °C
- Boiling point
- 162.4 °C
- Water solubility
- 100 mg/L (20 °C)
- logP
- 2.65Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H332 Harmful if inhaledAcute toxicity, inhalation
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P261, P271, P273, P304+P340, P317, P391, P501
Identifiers
CAS number
106-43-4SMILES
Cc1ccc(Cl)cc1InChIKey
NPDACUSDTOMAMK-UHFFFAOYSA-NInChI
InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Benzene, 1-chloro-4-methyl-
- para-Chlorotoluene
- p-Chloromethylbenzene
- p-Methylchlorobenzene
- 1-Methyl-4-chlorobenzene
- 4-Methylphenyl chloride
- 4-Tolyl chloride
- 4-Methylchlorobenzene
- NSC 404114
- 4-Methyl-1-chlorobenzene
- Toluene, p-chloro-
- 1-Chloro-4-methylbenzene
- 4-Chloro-1-methylbenzene
- p-Chlorotoluene
- p-Tolyl chloride
Work with 4-Chlorotoluene
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
P-Xylene106-42-360 % similar
1,4-Dichlorobenzene106-46-760 % similar
5-Chloro-2-methylpyridine72093-07-352 % similar
Bis(p-chlorophenyl)disulfide1142-19-450 % similar
Tri-p-tolylamine1159-53-150 % similar
4,4′-Dichlorobiphenyl2050-68-250 % similar
1-Chloro-3,5-dimethylbenzene556-97-850 % similar
Di-p-tolyl613-33-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds