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17293-03-7

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Basic Information
CAS No.: 17293-03-7
Name: 1,3,5-trichloro-2-(chloromethyl)benzene
Article Data: 11
Molecular Structure:
Molecular Structure of 17293-03-7 (1,3,5-trichloro-2-(chloromethyl)benzene)
Formula: C7H4Cl4
Molecular Weight: 229.921
Synonyms: 2,4,6-trichlorobenzyl chloride;1,3,5-Trichloro-2-(chlorométhyl)benzène;a,ar,ar,ar-Tetrachlorotoluene;
EINECS: 215-692-1
Density: 1.502 g/cm3
Boiling Point: 279.7 °C at 760 mmHg
Flash Point: 127.7 °C
PSA: 0.00000
LogP: 4.38560
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Specification

The Benzene,1,3,5-trichloro-2-(chloromethyl)-, with the CAS registry number 17293-03-7, is also known as 2,4,6-trichlorobenzyl chloride. Its EINECS number is 215-692-1. This chemical's molecular formula is C7H4Cl4 and molecular weight is 229.92. What's more, its IUPAC name is 1,3,5-trichloro-2-(chloromethyl)benzene.

Physical properties of Benzene,1,3,5-trichloro-2-(chloromethyl)- are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.31; (4)ACD/LogD (pH 7.4): 4.31; (5)ACD/BCF (pH 5.5): 1109.36; (6)ACD/BCF (pH 7.4): 1109.36; (7)ACD/KOC (pH 5.5): 5263.37; (8)ACD/KOC (pH 7.4): 5263.37; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 50.7 cm3; (15)Molar Volume: 152.9 cm3; (16)Polarizability: 20.1×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.502 g/cm3; (19)Flash Point: 127.7 °C; (20)Enthalpy of Vaporization: 49.76 kJ/mol; (21)Boiling Point: 279.7 °C at 760 mmHg; (22)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)Std. InChI: InChI=1S/C7H4Cl4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
(3)Std. InChIKey: NJQRKFOZZUIMGW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3075mg/kg (3075mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

KIDNEY, URETER, AND BLADDER: OTHER CHANGES		 JAT, Journal of Applied Toxicology. Vol. 7, Pg. 67, 1987.
Link to PubMed