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Substance Name: Anthrarufin
RN: 117-12-4
UNII: KPB60W5S3M
InChIKey: JPICKYUTICNNNJ-UHFFFAOYSA-N

Note

  • Used in ferric ion sensing as an inclusion complex with beta-cyclodextrin.

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C14-H8-O4

Molecular Weight

  • 240.213
 
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Names and Synonyms

Name of Substance

  • Anthrarufin

Synonyms

  • 1,5-Dihydroxy-9,10-anthraquinone
  • 1,5-Dihydroxyanthrachinon
  • 1,5-Dihydroxyanthrachinon [Czech]
  • 1,5-Dihydroxyanthraquinone
  • 4-08-00-03268 (Beilstein Handbook Reference)
  • Anthrarufin
  • BRN 1881718
  • CCRIS 3150
  • EINECS 204-175-6
  • NSC 646570
  • NSC 7211
  • UNII-KPB60W5S3M

Systematic Names

  • 1,5-Dihydroxyanthraquinone
  • 9,10-Anthracenedione, 1,5-dihydroxy-
  • Anthraquinone, 1,5-dihydroxy-
  • Anthrarufin

Registry Numbers

CAS Registry Number

  • 117-12-4

FDA UNII

  • KPB60W5S3M

Other Registry Number

  • 32073-06-6

System Generated Number

  • 0000117124

Structure Descriptors

InChI

1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H

InChIKey

JPICKYUTICNNNJ-UHFFFAOYSA-N

Smiles

c12c(C(c3c(cccc3C1=O)O)=O)cccc2O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 280 deg C   EXP
log P (octanol-water) 3.940 (none)   EST
Water Solubility 3.430 mg/L 25 EST
Vapor Pressure 1.17E-09 mm Hg 25 EST
Henry's Law Constant 5.45E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.59E-11 cm3/molecule-sec 25 EST

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