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198-46-9

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Basic Information
CAS No.: 198-46-9
Name: Benzo[de]cyclopent[a]anthracene
Molecular Structure:
Molecular Structure of 198-46-9 (Benzo[de]cyclopent[a]anthracene)
Formula: C20H12
Molecular Weight: 252.32
Density: 1.27g/cm3
Boiling Point: 557.1°Cat760mmHg
Flash Point: 282.1°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 0.00000
LogP: 4.67240
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Chemistry

Product Name: Benzo(de)cyclopent(a)anthracene (CAS NO.198-46-9)


Molecular Formula: C20H12
Molecular Weight: 252.32g/mol
Mol File: 198-46-9.mol
Boiling point: 557.1 °C at 760 mmHg
Flash Point: 282.1 °C
Density: 1.27 g/cm3
Surface Tension: 59.2 dyne/cm
Enthalpy of Vaporization: 80.76 kJ/mol
Vapour Pressure: 7.08E-12 mmHg at 25°C
XLogP3-AA: 5.3
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of Benzo(de)cyclopent(a)anthracene (CAS NO.198-46-9):
  Canonical SMILES: C1=CC=C2C(=C1)C=C3C4=CC=CC4=CC5=C3C2=CC=C5
  InChI: InChI=1S/C20H12/c1-2-8-16-14(5-1)12-19-17-9-3-6-13(17)11-15-7-4-10-18
(16)20(15)19/h1-12H 
  InChIKey: FZPMEKAWJMWZAT-UHFFFAOYSA-N

Safety Profile

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

Specification

 Benzo(de)cyclopent(a)anthracene ,its CAS NO. is 198-46-9,the synonyms is delta(sup 3)-Dehydro-3,4-trimethyleneisobenzanthrene-2 .