3-Methylbenzyl chloride

C8H9ClCAS 620-19-9140.61 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
620-19-9
SMILES
Cc1cccc(CCl)c1
InChIKey
LZBOHNCMCCSTJX-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3

Weigh 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 m,Alpha-Dichlorotoluene620-20-256 % similar Benzyl chloride100-44-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylbenzyl chloride104-82-5 2-Methylbenzyl chloride552-45-4 1-Chloro-3,5-dimethylbenzene556-97-8 1-Chloro-2,3-dimethylbenzene608-23-1 4-Chloro-1,2-dimethylbenzene615-60-1 Phenylethyl chloride622-24-2 1-Chloro-4-ethylbenzene622-98-0 1-Phenylethyl chloride672-65-1

Elsewhere

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