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Substance Name: 9,10-Phenanthrenedione
RN: 84-11-7
UNII: 42L7BZ8H74
InChIKey: YYVYAPXYZVYDHN-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Mutagens
  • Mutation Data
  • Noxae
  • Tumor Data

Molecular Formula

  • C14-H8-O2

Molecular Weight

  • 208.2152
 
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Names and Synonyms

Name of Substance

  • 9,10-Phenanthrenedione
  • 9,10-Phenanthrenequinone

Synonyms

  • 4-07-00-02565 (Beilstein Handbook Reference)
  • 9,10-Phenanthraquinone
  • 9,10-Phenanthrenedione
  • 9,10-Phenanthrenequinone
  • 9-10 Phenanthrene quinone
  • AI3-23739
  • BRN 0608838
  • CCRIS 7615
  • EINECS 201-515-5
  • HSDB 4489
  • NSC 10446
  • Phenanthraquinone
  • Phenanthrene, 9,10-dihydro-9,10-dioxo-
  • Phenanthrenequinone
  • UNII-42L7BZ8H74

Systematic Names

  • 9,10-Phenanthrenedione
  • 9,10-Phenanthrenequinone
  • Phenanthrenequinone

Registry Numbers

CAS Registry Number

  • 84-11-7

FDA UNII

  • 42L7BZ8H74

System Generated Number

  • 0000084117

Structure Descriptors

InChI

1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

InChIKey

YYVYAPXYZVYDHN-UHFFFAOYSA-N

Smiles

c12c3c(C(=O)C(c1cccc2)=O)cccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 165mg/kg (165mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 110, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 209 deg C   EXP
Boiling Point 360 deg C   EXP
log P (octanol-water) 2.52 (none)   EXP
Water Solubility 7.5 mg/L 25 EXP
Vapor Pressure 2.33E-06 mm Hg 25 EST
Henry's Law Constant 2.70E-09 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.