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25074-67-3

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Basic Information
CAS No.: 25074-67-3
Name: 3-chlorodibenzofuran
Article Data: 12
Molecular Structure:
Molecular Structure of 25074-67-3 (3-chlorodibenzofuran)
Formula: C12H7 Cl O
Molecular Weight: 202.64
Synonyms: 3-Chlorodibenzofuran;3-Monochlorodibenzofuran; PCDF 3
Density: 1.329g/cm3
Melting Point: 101.5°C
Boiling Point: 323°Cat760mmHg
Flash Point: 149.1°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of Cl−.
PSA: 13.14000
LogP: 4.23940
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Chemistry

Molecule structure of 3-Monochlorodibenzofuran (CAS NO.25074-67-3) :

IUPAC Name: 2-chlorodibenzofuran 
Molecular Weight: 202.63638 g/mol
Molecular Formula: C12H7ClO 
Density: 1.329 g/cm3 
Boiling Point: 323 °C at 760 mmHg 
Flash Point: 149.1 °C
Index of Refraction: 1.703
Molar Refractivity: 59.13 cm3
Molar Volume: 152.4 cm3
Polarizability: 23.44*10-24 cm3
Surface Tension: 49.7 dyne/cm 
Enthalpy of Vaporization: 54.24 kJ/mol
Vapour Pressure: 0.000509 mmHg at 25 °C
XLogP3: 5
H-Bond Acceptor: 1
Exact Mass: 202.018543
MonoIsotopic Mass: 202.018543
Topological Polar Surface Area: 13.1
Heavy Atom Count: 14
Complexity: 218
Canonical SMILES: C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)Cl
InChI: InChI=1S/C12H7ClO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
InChIKey of 3-Monochlorodibenzofuran (CAS NO.25074-67-3) : PRKTYWJFCODJOA-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-sat 500 nmol

     EMMUEG    Environmental and Molecular Mutagenesis. 17 (1991),104.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of Cl−.

Specification

 3-Monochlorodibenzofuran (CAS NO.25074-67-3) is also called 3-Chlorodibenzofuran ; 4-17-00-00587 (Beilstein Handbook Reference) ; BRN 0135846 ; CCRIS 1439 ; Dibenzofuran, 3-chloro- .