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CAS No.: | 2077-46-5 |
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Name: | 2,3,6-Trichlorotoluene |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H5Cl3 |
Molecular Weight: | 195.476 |
Synonyms: | Toluene,2,3,6-trichloro- (7CI,8CI); |
EINECS: | 218-202-4 |
Density: | 1.38 g/cm3 |
Melting Point: | 35.64°C (estimate) |
Boiling Point: | 236.4 °C at 760 mmHg |
Flash Point: | 147.6 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 0.00000 |
LogP: | 3.95520 |
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Reported in EPA TSCA Inventory.
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. |