4-Methylbenzyl chloride
Properties
- Molecular formula
- C8H9Cl
- Molar mass
- 140.61 g/mol
- Exact mass
- 140.0393 Da
- Density
- 1.0512 g/mL (at 20 °C)
- Melting point
- below 25 °C
- Boiling point
- 200–202 °C
- logP
- 2.73Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Identifiers
CAS number
104-82-5SMILES
Cc1ccc(CCl)cc1InChIKey
DMHZDOTYAVHSEH-UHFFFAOYSA-NInChI
InChI=1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Benzene, 1-(chloromethyl)-4-methyl-
- p-Xylene, α-chloro-
- 1-(Chloromethyl)-4-methylbenzene
- α-Chloro-p-xylene
- p-Methylbenzyl chloride
- p-Xylyl chloride
- p-Xylyl-α-chloride
- p-(Chloromethyl)toluene
- (4-Methylphenyl)methyl chloride
- p-Tolylmethyl chloride
- 4-(Chloromethyl)toluene
- 1-Methyl-4-chloromethylbenzene
- NSC 46590
- α-Chloro-p-methyltoluene
Work with 4-Methylbenzyl chloride
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
Xylylene dichloride623-25-667 % similar
1,2-Bis(4-methylphenyl)ethane538-39-660 % similar
4,4′-Bis(chloromethyl)biphenyl1667-10-357 % similar
4-Ethylbenzyl chloride1467-05-657 % similar
3,5-Dimethylbenzyl chloride2745-54-257 % similar
4-Chlorobenzyl chloride104-83-652 % similar
4-Fluorobenzyl chloride352-11-452 % similar
4-Ethyltoluene622-96-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds