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1,3,5-Trioxane,2,4,6-tris(dichloromethyl)-

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Name

1,3,5-Trioxane,2,4,6-tris(dichloromethyl)-

EINECS 241-375-2
CAS No. 17352-16-8 Density 1.651 g/cm3
PSA 27.69000 LogP 3.43920
Solubility N/A Melting Point N/A
Formula C6H6Cl6O3 Boiling Point 376.9 °C at 760 mmHg
Molecular Weight 338.83 Flash Point 146.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17352-16-8 (2,4,6-tris(dichloromethyl)-1,3,5-trioxane) Hazard Symbols N/A
Synonyms

s-Trioxane,2,4,6-tris(dichloromethyl)- (6CI,7CI,8CI);2,4,6-Tris(dichloromethyl)-1,3,5-trioxane;

 

1,3,5-Trioxane,2,4,6-tris(dichloromethyl)- Specification

The 1,3,5-Trioxane,2,4,6-tris(dichloromethyl)-, with the CAS registry number 17352-16-8, is also known as s-Trioxane,2,4,6-tris(dichloromethyl)- (6CI,7CI,8CI). Its EINECS number is 241-375-2. This chemical's molecular formula is C6H6Cl6O3 and molecular weight is 338.83. What's more, its systematic name is 2,4,6-Tris(dichloromethyl)-1,3,5-trioxane.

Physical properties of 1,3,5-Trioxane,2,4,6-tris(dichloromethyl)- are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 277.13; (6)ACD/BCF (pH 7.4): 277.13; (7)ACD/KOC (pH 5.5): 1950.19; (8)ACD/KOC (pH 7.4): 1950.19; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 61.54 cm3; (15)Molar Volume: 205.1 cm3; (16)Polarizability: 24.39×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.651 g/cm3; (19)Flash Point: 146.3 °C; (20)Enthalpy of Vaporization: 60.01 kJ/mol; (21)Boiling Point: 376.9 °C at 760 mmHg; (22)Vapour Pressure: 1.52E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)C1OC(OC(O1)C(Cl)Cl)C(Cl)Cl
(2)InChI: InChI=1S/C6H6Cl6O3/c7-1(8)4-13-5(2(9)10)15-6(14-4)3(11)12/h1-6H
(3)InChIKey: WHRHHWJTZCPFFS-UHFFFAOYSA-N

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