4-Methylbenzyl chloride

C8H9ClCAS 104-82-5140.61 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
1.0512 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
200–202 °C
Water solubility
miscible
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 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
104-82-5
SMILES
Cc1ccc(CCl)cc1
InChIKey
DMHZDOTYAVHSEH-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3

Weigh 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

Alpha,alpha'-Dichloro-p-xylene623-25-667 % 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

Same formula

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 3-Methylbenzyl chloride620-19-9 Phenylethyl chloride622-24-2 1-Chloro-4-ethylbenzene622-98-0 1-Phenylethyl chloride672-65-1

Elsewhere

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