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Substance Name: 1,2-Acenaphthylenedione
RN: 82-86-0
UNII: 3950D6UEIQ
InChIKey: AFPRJLBZLPBTPZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H6-O2

Molecular Weight

  • 182.177
 
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Names and Synonyms

Name of Substance

  • 1,2-Acenaphthylenedione
  • Acenaphthenequinone

Synonyms

  • 1,2-Acenaphthenedione
  • 1,2-Acenaphthenequinone
  • 4-07-00-02498 (Beilstein Handbook Reference)
  • Acenaphthaquinone
  • Acenaphthenedione
  • Acenaphthenequinone
  • Acenaphthoquinone
  • Acenaphthylene-1,2-quinone
  • Acenaphthylenequinone
  • BRN 0879172
  • CCRIS 5318
  • EINECS 201-441-3
  • HSDB 2660
  • NSC 7656
  • UNII-3950D6UEIQ

Systematic Names

  • 1,2-Acenaphthylenedione
  • Acenaphthenedione
  • Acenaphthenequinone

Registry Numbers

CAS Registry Number

  • 82-86-0

FDA UNII

  • 3950D6UEIQ

Other Registry Number

  • 131213-20-2

System Generated Number

  • 0000082860

Structure Descriptors

InChI

1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H

InChIKey

AFPRJLBZLPBTPZ-UHFFFAOYSA-N

Smiles

c12c3C(=O)C(c1cccc2ccc3)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 728mg/kg (728mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Russian Pharmacology and Toxicology Vol. 41, Pg. 146, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 261 deg C   EXP
log P (octanol-water) 1.95 (none)   EXP
Water Solubility 90.1 mg/L 25 EST
Vapor Pressure 1.57E-05 mm Hg 25 EST
Henry's Law Constant 3.43E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.30E-12 cm3/molecule-sec 25 EST

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