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69795-70-6

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Basic Information
CAS No.: 69795-70-6
Name: Cyclopenta[cd]pyren-3(4H)-one
Article Data: 12
Molecular Structure:
Molecular Structure of 69795-70-6 (Cyclopenta[cd]pyren-3(4H)-one)
Formula: C18H10 O
Molecular Weight: 242.277
Synonyms: 3-Oxo-3,4-dihydrocyclopenta[cd]pyrene
Density: 1.426 g/cm3
Boiling Point: 471 °C at 760 mmHg
Flash Point: 213 °C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 17.07000
LogP: 4.32280
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Chemistry

Product Name: Cyclopenta(cd)pyren-3(4H)-one (CAS NO.69795-70-6)


Molecular Formula: C18H10O
Molecular Weight: 242.27g/mol
Mol File: 69795-70-6.mol
Boiling point: 471 °C at 760 mmHg
Flash Point: 213 °C
Density: 1.426 g/cm3
Surface Tension: 77.5 dyne/cm
Enthalpy of Vaporization: 73.37 kJ/mol
Vapour Pressure: 4.82E-09 mmHg at 25°C
XLogP3-AA: 4.5
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of Cyclopenta(cd)pyren-3(4H)-one (CAS NO.69795-70-6):
  Canonical SMILES: C1C2=CC3=CC=CC4=C3C5=C(C=C4)C=CC(=C25)C1=O
  InChI: InChI=1S/C18H10O/c19-15-9-13-8-12-3-1-2-10-4-5-11-6-7-14(15)17(13)18(11)16(10)12/h1-8H,9H2 
  InChIKey: SWEWVKNBZYILAE-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

msc-hmn-lym 2600 µg/

     MUREAV    Mutation Research. 371 (1996),123.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 Cyclopenta(cd)pyren-3(4H)-one ,its CAS NO. is 69795-70-6,the synonyms is CID149464 ; LS-58173 .