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Substance Name: 2,4-Dichlorobenzyl chloride
RN: 94-99-5
UNII: 85E96P2S3S
InChIKey: IRSVDHPYXFLLDS-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-Cl3

Molecular Weight

  • 195.475
 
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Names and Synonyms

Name of Substance

  • 2,4-Dichlorobenzyl chloride

Synonyms

  • 2,4-Dichloro-1-(chloromethyl)benzene
  • 2,4-Dichlorobenzyl chloride
  • AI3-14886
  • alpha2,4-Trichlorotoluene
  • EINECS 202-381-0
  • NSC 406892
  • UNII-85E96P2S3S

Systematic Names

  • alpha,2,4-Trichlorotoluene
  • Benzene, 2,4-dichloro-1-(chloromethyl)-
  • Toluene, alpha2,4-trichloro- (8CI)

Registry Numbers

CAS Registry Number

  • 94-99-5

FDA UNII

  • 85E96P2S3S

System Generated Number

  • 0000094995

Structure Descriptors

InChI

InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2

InChIKey

IRSVDHPYXFLLDS-UHFFFAOYSA-N

Smiles

ClCc1ccc(Cl)cc1Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.60E+00 deg C   EXP
Boiling Point 248 deg C   EXP
log P (octanol-water) 3.82 (none)   EXP
Water Solubility 25.2 mg/L 25 EST
Vapor Pressure 0.0327 mm Hg 25 EXP
Henry's Law Constant 1.15E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.81E-13 cm3/molecule-sec 25 EST

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