3-Methylbenzyl chloride
Properties
- Molecular formula
- C8H9Cl
- Molar mass
- 140.61 g/mol
- Exact mass
- 140.0393 Da
- Density
- 1.072 g/mL (at 20 °C)
- Melting point
- 48–49 °C
- Boiling point
- 195.5 °C
- logP
- 2.73Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Identifiers
CAS number
620-19-9SMILES
Cc1cccc(CCl)c1InChIKey
LZBOHNCMCCSTJX-UHFFFAOYSA-NInChI
InChI=1S/C8H9Cl/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Benzene, 1-(chloromethyl)-3-methyl-
- m-Xylene, α-chloro-
- 1-(Chloromethyl)-3-methylbenzene
- m-Xylyl chloride
- m-Xylyl-α-chloride
- α-Chloro-m-xylene
- m-(Chloromethyl)toluene
- m-Methylbenzyl chloride
- 3-(Chloromethyl)toluene
- 3-Methylphenylmethyl chloride
- 1-Chloromethyl-3-methylbenzene
- 1-Methyl-3-chloromethylbenzene
- NSC 76592
Work with 3-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
1,3-Bis(chloromethyl)benzene626-16-465 % similar
3,5-Dimethylbenzyl chloride2745-54-260 % similar
1-Ethyl-3-methylbenzene620-14-459 % similar
3-Methylbenzylamine100-81-257 % similar
3-Methylbenzyl alcohol587-03-157 % similar
3-Methylbenzyl bromide620-13-357 % similar
3-Chlorobenzyl chloride620-20-256 % similar
Benzyl chloride100-44-754 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds