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Reported in EPA TSCA Inventory.
The Trichlorobenzyl chloride, with the CAS registry number 1344-32-7, is also known as Toluene, alpha,ar,ar,ar-tetrachloro-. This chemical's molecular formula is C7H4Cl4 and molecular weight is 229.9187. Its systematic name is called 1,3,5-trichloro-2-(chloromethyl)benzene. This chemical's classification codes are Agricultural Chemical; Herbicide; Out-dated Pesticide.
Physical properties of Trichlorobenzyl chloride: (1)ACD/LogP: 4.31; (2)ACD/LogD (pH 5.5): 4.31; (3)ACD/LogD (pH 7.4): 4.31; (4)ACD/BCF (pH 5.5): 1109.36; (5)ACD/BCF (pH 7.4): 1109.36; (6)ACD/KOC (pH 5.5): 5263.37; (7)ACD/KOC (pH 7.4): 5263.37; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.577; (10)Molar Refractivity: 50.7 cm3; (11)Molar Volume: 152.9 cm3; (12)Surface Tension: 42.2 dyne/cm; (13)Density: 1.502 g/cm3; (14)Flash Point: 127.7 °C; (15)Enthalpy of Vaporization: 49.76 kJ/mol; (16)Boiling Point: 279.7 °C at 760 mmHg; (17)Vapour Pressure: 0.00671 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1c(Cl)cc(Cl)cc1Cl
(2)InChI: InChI=1/C7H4Cl4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
(3)InChIKey: NJQRKFOZZUIMGW-UHFFFAOYAP
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 3075mg/kg (3075mg/kg) | "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 359, 1969. |