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CAS No.: | 1638-41-1 |
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Name: | PHENOL,2,2'-SULFONYLBIS[3,4,6-TRICHLORO]- |
Molecular Structure: | |
Formula: | C12H4Cl6O4S |
Molecular Weight: | 456.945 |
Synonyms: | Phenol,2,2'-sulfonylbis[3,4,6-trichloro- (7CI,8CI,9CI);2,2'-Dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylsulfone;2,2'-Sulfonylbis(3,4,6-trichlorophenol); |
Density: | 1.854 g/cm3 |
Boiling Point: | 590 °C at 760 mmHg |
Flash Point: | 310.6 °C |
PSA: | 82.98000 |
LogP: | 6.93180 |
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The 2,2'-Sulfonylbis(3,4,6-trichlorophenol) with the CAS number 1638-41-1 is also called Phenol,3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)sulfonyl]-. Its molecular formula is C12H4Cl6O4S. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 2,2'-Sulfonylbis(3,4,6-trichlorophenol) are: (1)ACD/LogP: 8.26; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 60.98 Å2; (7)Index of Refraction: 1.672; (8)Molar Refractivity: 92.3 cm3; (9)Molar Volume: 246.3 cm3; (10)Polarizability: 36.59×10-24cm3; (11)Surface Tension: 69.1 dyne/cm; (12)Enthalpy of Vaporization: 91.3 kJ/mol; (13)Vapour Pressure: 1.61×10-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(O)c(Cl)cc1Cl)S(=O)(=O)c2c(O)c(Cl)cc(Cl)c2Cl
(2)InChI: InChI=1/C12H4Cl6O4S/c13-3-1-5(15)9(19)11(7(3)17)23(21,22)12-8(18)4(14)2-6(16)10(12)20/h1-2,19-20H
(3)InChIKey: AKUKHICVNCCQHN-UHFFFAOYAA