Product Name

  • Name

    2,3,6-Trichlorotoluene

  • EINECS 218-202-4
  • CAS No. 2077-46-5
  • Article Data9
  • CAS DataBase
  • Density 1.38 g/cm3
  • Solubility
  • Melting Point 35.64°C (estimate)
  • Formula C7H5Cl3
  • Boiling Point 236.4 °C at 760 mmHg
  • Molecular Weight 195.476
  • Flash Point 147.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 2077-46-5 (2,3,6-Trichlorotoluene)
  • Hazard Symbols HarmfulXn
  • Synonyms Toluene,2,3,6-trichloro- (7CI,8CI);
  • PSA 0.00000
  • LogP 3.95520

2,3,6-Trichlorotoluene Consensus Reports

Reported in EPA TSCA Inventory.

2,3,6-Trichlorotoluene Specification

The 2,3,6-Trichlorotoluene is an organic compound with the formula C7H5Cl3. The IUPAC name of this chemical is 1,2,4-trichloro-3-methylbenzene. With the CAS registry number 2077-46-5, it is also named as benzene, 1,2,4-trichloro-3-methyl-. Besides, it  is the intermediate of production of herbicide.

Physical properties about 2,3,6-Trichlorotoluene are: (1)ACD/LogP: 4.28; (2)ACD/LogD (pH 5.5): 4.28; (3)ACD/LogD (pH 7.4): 4.28; (4)ACD/BCF (pH 5.5): 1050.79; (5)ACD/BCF (pH 7.4): 1050.79; (6)ACD/KOC (pH 5.5): 5062.93; (7)ACD/KOC (pH 7.4): 5062.93; (8)Index of Refraction: 1.559; (9)Molar Refractivity: 45.76 cm3; (10)Molar Volume: 141.5 cm3; (11)Polarizability: 18.14×10-24cm3; (12)Surface Tension: 38.4 dyne/cm; (13)Density: 1.38 g/cm3; (14)Flash Point: 147.6 °C; (15)Enthalpy of Vaporization: 45.4 kJ/mol; (16)Boiling Point: 236.4 °C at 760 mmHg; (17)Vapour Pressure: 0.0729 mmHg at 25°C.

Uses of 2,3,6-Trichlorotoluene: it can be used to produce 2,3,6-trichloro-benzoic acid. It will need reagent HNO3.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(Cl)ccc1Cl)C
(2)InChI: InChI=1/C7H5Cl3/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3
(3)InChIKey: UZYYBZNZSSNYSA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H5Cl3/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3
(5)Std. InChIKey: UZYYBZNZSSNYSA-UHFFFAOYSA-N

The toxicity data is as follows:

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.

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