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Substance Name: 7,12-Benz(a)anthraquinone
RN: 2498-66-0
UNII: BL89U5YZBK
InChIKey: LHMRXAIRPKSGDE-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H10-O2

Molecular Weight

  • 258.275
 
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Names and Synonyms

Name of Substance

  • 7,12-Benz(a)anthraquinone

Synonyms

  • 1,2-Benzanthraquinone
  • 1,2-Benzo-9,10-anthraquinone
  • 1,2-Benzoanthraquinone
  • 4-07-00-02644 (Beilstein Handbook Reference)
  • 7,12-Benz(a)anthraquinone
  • Benz(a)anthra-7,12-quinone
  • Benz(a)anthracene-7,12-quinone
  • Benzanthracene-7,12-dione
  • Benzanthraquinone
  • BRN 2052941
  • C.I. 59000
  • EINECS 219-693-8
  • NSC 7961
  • Sirius Yellow G
  • Sirius Yellow G (VAN)
  • UNII-BL89U5YZBK

Systematic Names

  • Benz(a)anthracene-7,12-dione
  • Benz(a)anthracene-7,12-quinone

Registry Numbers

CAS Registry Number

  • 2498-66-0

FDA UNII

  • BL89U5YZBK

Other Registry Numbers

  • 129243-38-5
  • 138424-87-0

System Generated Number

  • 0002498660

Structure Descriptors

InChI

1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H

InChIKey

LHMRXAIRPKSGDE-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3C2=O)=O)ccc2c1cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 169-171 deg C   EXP
log P (octanol-water) 4.4 (none)   EXP
Water Solubility 0.289 mg/L 25 EST
Vapor Pressure 3.50E-08 mm Hg 25 EST
Henry's Law Constant 3.10E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.05E-12 cm3/molecule-sec 25 EST

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