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Substance Name: alpha-Chloro-p-xylene
RN: 104-82-5
UNII: 858830J11H
InChIKey: DMHZDOTYAVHSEH-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-Cl

Molecular Weight

  • 140.6121
 
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Names and Synonyms

Name of Substance

  • 4-Methylbenzyl chloride
  • alpha-Chloro-p-xylene
  • p-Xylyl chloride

Synonyms

  • (4-Methylphenyl)methyl chloride
  • (Chloromethyl)toluene (2-(chloromethyl) plus 4-(chloromethyl))
  • 1-(Chloromethyl)-4-methylbenzene
  • 1-Methyl-4-(chloromethyl)benzene
  • 4-(Chloromethyl)toluene
  • 4-05-00-00966 (Beilstein Handbook Reference)
  • 4-Methylbenzyl chloride
  • alpha-Chloro-p-xylene
  • Benzene, 1-(chloromethyl)-4-methyl-
  • BRN 0507387
  • CCRIS 5109
  • EINECS 203-241-1
  • HSDB 2682
  • NSC 46590
  • p-(Chloromethyl)toluene
  • p-Methylbenzyl chloride
  • p-Tolylmethyl chloride
  • p-Xylene, alpha-chloro-
  • p-Xylyl chloride
  • p-Xylyl-alpha-chloride
  • UNII-858830J11H

Systematic Names

  • alpha-Chloro-p-xylene
  • Benzene, 1-(chloromethyl)-4-methyl-
  • p-Methylbenzyl chloride
  • p-Xylene, alpha-chloro-

Registry Numbers

CAS Registry Number

  • 104-82-5

FDA UNII

  • 858830J11H

System Generated Number

  • 0000104825

Structure Descriptors

InChI

1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3

InChIKey

DMHZDOTYAVHSEH-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 1100mg/kg (1100mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 201 deg C   EXP
log P (octanol-water) 3.340 (none)   EST
Water Solubility 117 mg/L 25 EST
Vapor Pressure 0.297 mm Hg 25 EXP
Henry's Law Constant 2.31E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.80E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.