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Substance Name: Quinophthalone
RN: 83-08-9
InChIKey: IZMJMCDDWKSTTK-UHFFFAOYSA-N

Note

  • Found in hair preparations; causes contact dermatitis.

Molecular Formula

  • C18-H11-N-O2

Molecular Weight

  • 273.2899
 
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Names and Synonyms

Name of Substance

  • Quinophthalone

Synonyms

  • 11641 Yellow
  • 2-(2-Quinolyl)-1,3-indandione
  • 2-(2-Quinolyl)-1,3-indanedione
  • EINECS 201-453-9
  • Erio Chinoline Yellow 4G
  • NSC 18950
  • Quinoline Yellow 2SF

Systematic Names

  • 1H-Indene-1,3(2H)-dione, 2-(2-quinolinyl)-
  • 2-(2-Quinolyl)-1H-indene-1,3(2H)-dione
  • Quinophthalone (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 83-08-9

System Generated Number

  • 0000083089

Structure Descriptors

InChI

1S/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,16H

InChIKey

IZMJMCDDWKSTTK-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)ccc(n2)C3C(=O)c4ccccc4C3=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.210 (none)   EST
Water Solubility 5.520 mg/L 25 EST
Vapor Pressure 9.88E-09 mm Hg 25 EST
Henry's Law Constant 6.12E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.56E-11 cm3/molecule-sec 25 EST

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