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72041-34-0

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Basic Information
CAS No.: 72041-34-0
Name: 15,16-dihydro-1,11-methanocyclopenta(a)phenanthren-17-one
Article Data: 3
Molecular Structure:
Molecular Structure of 72041-34-0 (15,16-dihydro-1,11-methanocyclopenta(a)phenanthren-17-one)
Formula: C18H12 O
Molecular Weight: 244.293
Synonyms: 15,16-dihydro-1,11-methanocyclopenta(a)phenanthren-17-one
Density: 1.381g/cm3
Boiling Point: 497.1°C at 760 mmHg
Flash Point: 225.2°C
Safety: Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 17.07000
LogP: 4.02610
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  • Dicyclopenta[a,def]phenanthren-6(4H)-one,7,8-dihydro- (9CI)

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Chemistry

Empirical Formula: C18H12O
Molecular Weight: 244.2873g/mol
Structure of Dicyclopenta(a,def)phenanthren-6(4H)-one, 7,8-dihydro (9CI) (CAS NO.72041-34-0):

Index of Refraction: 1.823
Molar Refractivity: 77.19 cm3
Molar Volume: 176.8 cm3
 Polarizability: 30.6×10-24cm3
Surface Tension: 71.5 dyne/cm
Density: 1.381 g/cm3
Flash Point: 225.2 °C
Enthalpy of Vaporization: 76.5 kJ/mol
Boiling Point: 497.1 °C at 760 mmHg
Vapour Pressure: 5.1E-10 mmHg at 25°C 
Classification Code: Tumor data 
Canonical SMILES: C1CC(=O)C2=CC3=C4C(=C21)C=CC5=C4C(=CC=C5)C3
InChI: InChI=1S/C18H12O/c19-16-7-6-13-14-5-4-10-2-1-3-11-8-12(9-15(13)16)18(14)17(10)11/h1-5,9H,6-8H2
InChIKey: GQEAXOLSWXBKCS-UHFFFAOYSA-N

Safety Profile

Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Dicyclopenta(a,def)phenanthren-6(4H)-one, 7,8-dihydro (9CI) , its cas register number is 72041-34-0. It also can be called 15,16-Dihydro-1,11-methanocyclopenta(a)phenanthren-17-one ; 2,3-Dihydrodicyclopenta(c,lmn)phenanthren-1(9H)-one ; CCRIS 2474 . When Dicyclopenta(a,def)phenanthren-6(4H)-one, 7,8-dihydro (9CI) (CAS NO.72041-34-0) is heated to decomposition it emits acrid smoke and irritating fumes.