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50468-61-6

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Basic Information
CAS No.: 50468-61-6
Name: (4-chlorophenyl)(dibenzo[b,d]furan-2-yl)methanone
Molecular Structure:
Molecular Structure of 50468-61-6 ((4-chlorophenyl)(dibenzo[b,d]furan-2-yl)methanone)
Formula: C19H11ClO2
Molecular Weight: 306.748
Density: 1.33g/cm3
Boiling Point: 478.7°C at 760 mmHg
Flash Point: 243.3°C
Safety: Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of Cl−.
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  • (4-chlorophenyl)(dibenzo[b,d]furan-2-yl)methanone

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    (4-chlorophenyl)(dibenzo[b,d]furan-2-yl)methanone

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Chemistry

Molecule structure of Ketone, dibenzofuran-2-yl (4-chlorophenyl) (CAS NO.50468-61-6):

IUPAC Name: (4-Chlorophenyl)-dibenzofuran-2-ylmethanone 
Molecular Weight: 306.74244 g/mol
Molecular Formula: C19H11ClO2 
Density: 1.33 g/cm3 
Boiling Point: 478.7 °C at 760 mmHg 
Flash Point: 243.3 °C
Index of Refraction: 1.698
Molar Refractivity: 88.92 cm3
Molar Volume: 230.5 cm3
Polarizability: 35.25×10-24 cm3
Surface Tension: 53.8 dyne/cm 
Enthalpy of Vaporization: 74.29 kJ/mol
Vapour Pressure: 2.51E-09 mmHg at 25 °C
XLogP3: 6.4
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 306.044757
MonoIsotopic Mass: 306.044757
Topological Polar Surface Area: 30.2
Heavy Atom Count: 22
Complexity: 416
Canonical SMILES: C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H11ClO2/c20-14-8-5-12(6-9-14)19(21)13-7-10-18-16(11-13)15-3-1-2-4-17(15)22-18/h1-11H
InChIKey of Ketone, dibenzofuran-2-yl (4-chlorophenyl) (CAS NO.50468-61-6): YIWQCJMKGCWOIN-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus LD50:>1 g/kg

     PCJOAU    Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 19 (1985),326.

Safety Profile

Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of Cl−.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 Ketone, dibenzofuran-2-yl (4-chlorophenyl) (CAS NO.50468-61-6) is also named as BRN 1583729 ; Methanone, 2-dibenzofuranylphenyl- ; Methanone, (4-chlorophenyl)-2-dibenzofuranyl- .