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134705-53-6

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Basic Information
CAS No.: 134705-53-6
Name: 1,2,6,9-tetrachlorodibenzo[b,d]thiophene
Molecular Structure:
Molecular Structure of 134705-53-6 (1,2,6,9-tetrachlorodibenzo[b,d]thiophene)
Formula: C12H4Cl4S
Molecular Weight: 322.0372
Density: 1.651 g/cm3
Boiling Point: 455.4 °C at 760mmHg
Flash Point: 295.6 °C
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    1,2,6,9-Tetrachlorodibenzothiophene

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Specification

The IUPAC name of this chemical is 1,2,6,9-tetrachlorodibenzothiophene. With the CAS registry number 134705-53-6, it is also named as Dibenzothiophene, 1,2,6,9-tetrachloro-. In addition, this chemical should be avoided direct sunshine. And the price of this product changes with the market.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.23; (4)ACD/LogD (pH 7.4): 6.23; (5)ACD/BCF (pH 5.5): 32133.82; (6)ACD/BCF (pH 7.4): 32133.82; (7)ACD/KOC (pH 5.5): 58569; (8)ACD/KOC (pH 7.4): 58569; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)Index of Refraction: 1.756; (12)Molar Refractivity: 79.9 cm3; (13)Molar Volume: 194.9 cm3; (14)Polarizability: 31.67×10-24 cm3; (15)Surface Tension: 59.5 dyne/cm; (16)Enthalpy of Vaporization: 68.77 kJ/mol; (17)Vapour Pressure: 4.78E-08 mmHg at 25°C; (18)Exact Mass: 321.875832; (19)MonoIsotopic Mass: 319.878782; (20)Topological Polar Surface Area: 28.2; (21)Heavy Atom Count: 17; (22)Complexity: 300.

People can use the following data to convert to the molecule structure. 
1. SMILES: Clc2c(Cl)c1c3c(Cl)ccc(Cl)c3sc1cc2;
2. InChI: InChI=1/C12H4Cl4S/c13-5-1-2-7(15)12-9(5)10-8(17-12)4-3-6(14)11(10)16/h1-4H.;
3. InChIKey: HZLNREZBDGXXPR-UHFFFAOYAB.