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Substance Name: Fluorenone
RN: 486-25-9
UNII: AZ9T83S2AQ
InChIKey: YLQWCDOCJODRMT-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Tumor Data

Molecular Formula

  • C13-H8-O

Molecular Weight

  • 180.205
 
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Names and Synonyms

Name of Substance

  • 9-Fluorenone
  • Fluorenone

Synonyms

  • 9-Fluorenone
  • 9-Oxofluorene
  • 9H-Fluoren-9-one
  • AI3-00858
  • CCRIS 593
  • Diphenylene ketone
  • EINECS 207-630-7
  • Fluoren-9-one
  • Fluorenone
  • HSDB 5490
  • NSC 5181
  • UNII-AZ9T83S2AQ

Systematic Names

  • 9H-Fluoren-9-one
  • Fluoren-9-one

Registry Numbers

CAS Registry Number

  • 486-25-9

FDA UNII

  • AZ9T83S2AQ

System Generated Number

  • 0000486259

Structure Descriptors

InChI

1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H

InChIKey

YLQWCDOCJODRMT-UHFFFAOYSA-N

Smiles

c12c3c(cccc3)C(c1cccc2)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 325, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 84 deg C   EXP
Boiling Point 341.5 deg C   EXP
log P (octanol-water) 3.58 (none)   EXP
Water Solubility 25.3 mg/L 25 EST
Vapor Pressure 5.72E-05 mm Hg 25 EST
Henry's Law Constant 6.77E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.18E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.