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Substance Name: 1,4-Bis(trichloromethyl)benzene
RN: 68-36-0
UNII: 42CH2735EU
InChIKey: OTEKOJQFKOIXMU-UHFFFAOYSA-N

Classification Codes

  • Anthelmintics
  • Anti-Infective Agents
  • Antiparasitic Agents
  • Antiplatyhelmintic Agents
  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C8-H4-Cl6

Molecular Weight

  • 312.8376
 
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Names and Synonyms

Name of Substance

  • 1,4-Bis(trichloromethyl)benzene
  • Hexachloro-4-xylene

Synonyms

  • 1,4-Bis-trichloromethyl benzene
  • 1,4-Di(trichloromethyl)benzene
  • 2,2-Hexachloro-p-xylene
  • 4-05-00-00968 (Beilstein Handbook Reference)
  • AI3-02587
  • alpha,alpha'-Hexachloroxylene
  • alpha,alpha,alpha,alpha',alpha',alpha'-Hexachloro-p-xylene
  • Benzene, 1,4-bis(trichloromethyl)-
  • Bitriben
  • BRN 2051282
  • Chloksil
  • Chloxil
  • Chloxyl
  • Cloxil
  • EINECS 200-686-3
  • Hetol
  • Hexachloroparaxylol
  • Hexichol
  • HSDB 5202
  • Khloksil
  • Khloxil
  • NSC 41883
  • p-Bis(perchloromethyl)benzene
  • p-Bis(trichloromethyl)benzene
  • p-Di(trichloromethyl)benzene
  • p-Xylene, alpha,alpha'-hexachloro-
  • UNII-42CH2735EU

Systematic Names

  • 1,4-Bis(trichloromethyl)benzene
  • Benzene, 1,4-bis(trichloromethyl)-
  • p-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-

Superlist Name

  • p-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-

Registry Numbers

CAS Registry Number

  • 68-36-0

FDA UNII

  • 42CH2735EU

System Generated Number

  • 0000068360

Structure Descriptors

InChI

1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H

InChIKey

OTEKOJQFKOIXMU-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3200mg/kg (3200mg/kg)   Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 21, Pg. 34, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 109 deg C   EXP
log P (octanol-water) 4.62 (none)   EXP
Water Solubility 1.170 mg/L 25 EST
Vapor Pressure 1.02E-03 mm Hg 25 EST
Henry's Law Constant 1.25E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.81E-14 cm3/molecule-sec 25 EST

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