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Substance Name: Xanthene
RN: 92-83-1
UNII: A762Z8101Y
InChIKey: GJCOSYZMQJWQCA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O

Molecular Weight

  • 182.221
 
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Names and Synonyms

Name of Substance

  • Xanthene

Synonyms

  • 10H-9-Oxaanthracene
  • 5-17-02-00252 (Beilstein Handbook Reference)
  • AI3-01544
  • BRN 0133939
  • EINECS 202-194-4
  • NSC 46931
  • UNII-A762Z8101Y

Systematic Names

  • 9H-Xanthene
  • Xanthene

Registry Numbers

CAS Registry Number

  • 92-83-1

FDA UNII

  • A762Z8101Y

System Generated Number

  • 0000092831

Structure Descriptors

InChI

1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2

InChIKey

GJCOSYZMQJWQCA-UHFFFAOYSA-N

Smiles

c12c(Oc3ccccc3C1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 690mg/kg (690mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 107, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 100.5 deg C   EXP
Boiling Point 311 deg C   EXP
log P (octanol-water) 4.23 (none)   EXP
Water Solubility 1.020 mg/L 25 EST
Vapor Pressure 8.47E-04 mm Hg 25 EST
Henry's Law Constant 4.77E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.29E-11 cm3/molecule-sec 25 EST

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