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Substance Name: 1,3,5-Trichlorobenzene
RN: 108-70-3
UNII: 2HS4M0BX3C
InChIKey: XKEFYDZQGKAQCN-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C6-H3-Cl3

Molecular Weight

  • 181.449
 
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Names and Synonyms

Name of Substance

  • 1,3,5-Trichlorobenzene

Synonyms

  • 1,3,5-Trichlorobenzene
  • AI3-22031
  • Benzene, 1,3,5-trichloro-
  • CCRIS 5946
  • EINECS 203-608-6
  • HSDB 132
  • NSC 4389
  • s-Trichlorobenzene
  • sym-Trichlorobenzene
  • TCB
  • UNII-2HS4M0BX3C

Systematic Names

  • 1,3,5-Trichlorobenzene
  • Benzene, 1,3,5-trichloro-

Superlist Name

  • 1,3,5-Trichlorobenzene

Registry Numbers

CAS Registry Number

  • 108-70-3

FDA UNII

  • 2HS4M0BX3C

System Generated Number

  • 0000108703

Structure Descriptors

InChI

1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H

InChIKey

XKEFYDZQGKAQCN-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2260mg/kg (2260mg/kg)   Mutagenesis. Vol. 2, Pg. 111, 1987.
mouse LD50 oral 3350mg/kg (3350mg/kg)   National Technical Information Service. Vol. UCRL-13701,
rat LC inhalation > 9300mg/m3/1H (9300mg/m3)   National Technical Information Service. Vol. OTS0537049,
rat LD50 oral 800mg/kg (800mg/kg)   "Industrial and Environmental Xenobiotics: Metabolism and Pharmacokinetics of Organic Chemicals and Metals, Proceedings of an International Conference, Prague, 1980," Gut, I., et al., Berlin, Fed. Rep, Ger., Springer-Verlag, 1981Vol. -, Pg. 389, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 63.5 deg C   EXP
Boiling Point 208 deg C   EXP
log P (octanol-water) 4.19 (none)   EXP
Water Solubility 6.01 mg/L 25 EXP
Vapor Pressure 0.24 mm Hg 25 EXP
Henry's Law Constant 0.00189 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 6.79E-13 cm3/molecule-sec 25 EST

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