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Substance Name: 2,3,6-Trichlorotoluene
RN: 2077-46-5
UNII: 19M2L15Z6U
InChIKey: UZYYBZNZSSNYSA-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-Cl3

Molecular Weight

  • 195.475
 
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Names and Synonyms

Name of Substance

  • 2,3,6-Trichlorotoluene

Synonyms

  • 2,3,6-Trichlorotoluene
  • 4-05-00-00819 (Beilstein Handbook Reference)
  • Benzene, 1,2,4-trichloro-3-methyl-
  • BRN 2327397
  • EINECS 218-202-4
  • UNII-19M2L15Z6U

Systematic Names

  • 2,3,6-Trichlorotoluene
  • Benzene, 1,2,4-trichloro-3-methyl-
  • Toluene, 2,3,6-trichloro-

Registry Numbers

CAS Registry Number

  • 2077-46-5

FDA UNII

  • 19M2L15Z6U

System Generated Number

  • 0002077465

Structure Descriptors

InChI

1S/C7H5Cl3/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3

InChIKey

UZYYBZNZSSNYSA-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1Cl)Cl)Cl)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(12), Pg. 64, 1980.
rat LD50 unreported 4800mg/kg (4800mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(12), Pg. 64, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.470 (none)   EST
Water Solubility 6.970 mg/L 25 EST
Vapor Pressure 0.073 mm Hg 25 EST
Henry's Law Constant 0.0015 atm-m3/mole 20 EXP
Atmospheric OH Rate Constant 4.81E-13 cm3/molecule-sec 25 EST

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