2-Methylbenzyl chloride
Properties
- Molecular formula
- C8H9Cl
- Molar mass
- 140.61 g/mol
- Exact mass
- 140.0393 Da
- Density
- 1.083 g/mL (at 21 °C)
- Melting point
- 96.7 °C
- Boiling point
- 195–203 °C
- logP
- 2.73Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Identifiers
CAS number
552-45-4SMILES
Cc1ccccc1CClInChIKey
VQRBXYBBGHOGFT-UHFFFAOYSA-NInChI
InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Benzene, 1-(chloromethyl)-2-methyl-
- o-Methylbenzyl chloride
- α-Chloro-o-xylene
- 2-(Chloromethyl)toluene
- o-Chloromethyltoluene
- 1-Methyl-2-chloromethylbenzene
- o-Xylene, α-chloro-
- 1-(Chloromethyl)-2-methylbenzene
- ω-Chloro-o-xylene
- o-Xylyl chloride
- o-Xylyl-α-chloride
Work with 2-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
α,Α′-Dichloro-O-xylene612-12-462 % similar
1-Ethyl-2-methylbenzene611-14-356 % similar
2,5-Dimethylbenzyl chloride824-45-356 % similar
2-Iodobenzyl chloride59473-45-954 % similar
2-Methylbenzyl bromide89-92-954 % similar
2-Methylbenzylamine89-93-054 % similar
2,4-Dimethylbenzyl chloride824-55-554 % similar
2-(2-Methylphenyl)ethanol19819-98-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds