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Substance Name: 1,3-Indandione
RN: 606-23-5
UNII: 4DJN7YG35G
InChIKey: UHKAJLSKXBADFT-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C9-H6-O2

Molecular Weight

  • 146.144
 
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Names and Synonyms

Name of Substance

  • 1,3-Indandione

Synonyms

  • 1,3-Diketohydrindene
  • 1,3-Indandion
  • 1,3-Indandione
  • 1,3-Indanone
  • 4-07-00-02344 (Beilstein Handbook Reference)
  • BRN 1210061
  • EINECS 210-109-7
  • NSC 26329
  • NSC 6312
  • UNII-4DJN7YG35G

Systematic Names

  • 1H-Indene-1,3(2H)-dione
  • Indan-1,3-dione

Registry Numbers

CAS Registry Number

  • 606-23-5

FDA UNII

  • 4DJN7YG35G

Other Registry Number

  • 823271-74-5

System Generated Number

  • 0000606235

Structure Descriptors

InChI

1S/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2

InChIKey

UHKAJLSKXBADFT-UHFFFAOYSA-N

Smiles

c12c(C(=O)CC1=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   Archives of Toxicology. Vol. 33, Pg. 191, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 131.5 dec deg C   EXP
log P (octanol-water) 0.61 (none)   EXP
Water Solubility 2.38E+04 mg/L 25 EST
Vapor Pressure 1.72E-03 mm Hg 25 EST
Henry's Law Constant 5.93E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.09E-12 cm3/molecule-sec 25 EST

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