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83704-21-6

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Basic Information
CAS No.: 83704-21-6
Name: 1,2,3,6-TETRACHLORODIBENZOFURAN
Article Data: 4
Molecular Structure:
Molecular Structure of 83704-21-6 (1,2,3,6-TETRACHLORODIBENZOFURAN)
Formula: C12H4Cl4O
Molecular Weight: 305.975
Synonyms: 1,2,3,6-Tetrachlorodibenzofuran;PCDF 50;1,2,3,6-Tetrachlorodibenzo[b,d]furan;
Density: 1.625 g/cm3
Boiling Point: 420.1 °C at 760 mmHg
Flash Point: 207.9 °C
PSA: 13.14000
LogP: 6.19960
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Specification

The Dibenzofuran,1,2,3,6-tetrachloro-, with the CAS registry number 83704-21-6, is also known as 1,2,3,6-Tetrachlorodibenzo[b,d]furan. This chemical's molecular formula is C12H4Cl4O and molecular weight is 305.97. What's more, its systematic name is 1,2,3,6-tetrachlorodibenzofuran.

Physical properties of Dibenzofuran,1,2,3,6-tetrachloro- are: (1)ACD/LogP: 6.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.17; (4)ACD/LogD (pH 7.4): 6.17; (5)ACD/BCF (pH 5.5): 28558.83; (6)ACD/BCF (pH 7.4): 28558.83; (7)ACD/KOC (pH 5.5): 53827.45; (8)ACD/KOC (pH 7.4): 53827.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.713; (14)Molar Refractivity: 73.81 cm3; (15)Molar Volume: 188.2 cm3; (16)Polarizability: 29.26×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.625 g/cm3; (19)Flash Point: 207.9 °C; (20)Enthalpy of Vaporization: 64.78 kJ/mol; (21)Boiling Point: 420.1 °C at 760 mmHg; (22)Vapour Pressure: 7.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl
(2)InChI: InChI=1S/C12H4Cl4O/c13-6-3-1-2-5-9-8(17-12(5)6)4-7(14)10(15)11(9)16/h1-4H
(3)InChIKey: BBAXFLIBRPXRBP-UHFFFAOYSA-N