Molecule structure of Dichlorodibenzofuran (CAS NO.43047-99-0):
IUPAC Name: 1,3-Dichlorodibenzofuran
Molecular Weight: 237.08144 g/mol
Molecular Formula: C12H6Cl2O
Density: 1.442 g/cm3
Boiling Point: 355.2 °C at 760 mmHg
Flash Point: 168.6 °C
Index of Refraction: 1.707
Molar Refractivity: 64.02 cm3
Molar Volume: 164.3 cm3
Polarizability: 25.38×10-24 cm3
Surface Tension: 51.6 dyne/cm
Enthalpy of Vaporization: 57.67 kJ/mol
Vapour Pressure: 6.5E-05 mmHg at 25 °C
XLogP3-AA: 4.9
H-Bond Acceptor: 1
Exact Mass: 235.97957
MonoIsotopic Mass: 235.97957
Topological Polar Surface Area: 13.1
Heavy Atom Count: 15
Complexity: 246
Canonical SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3O2)Cl)Cl
InChI: InChI=1S/C12H6Cl2O/c13-7-5-9(14)12-8-3-1-2-4-10(8)15-11(12)6-7/h1-6H
InChIKey of Dichlorodibenzofuran (CAS NO.43047-99-0): VKIBKEFGJSPRJC-UHFFFAOYSA-N
1. | orl-rat LDLo:250 mg/kg | NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),17. |
A poison by ingestion. When heated to decomposition it emits toxic vapors of Cl−.
Dichlorodibenzofuran (CAS NO.43047-99-0) is also named as Dibenzofuran, dichloro- .
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