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Substance Name: Quinoline, 4,6-dinitro-, 1-oxide
RN: 1596-52-7
InChIKey: QERNYYPEFOVKMT-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C9-H5-N3-O5

Molecular Weight

  • 235.1545
 
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Names and Synonyms

Synonyms

  • 4,6-Dinitroquinoline 1-oxide
  • 4-20-00-03408 (Beilstein Handbook Reference)
  • BRN 0255457

Systematic Name

  • Quinoline, 4,6-dinitro-, 1-oxide

Registry Numbers

CAS Registry Number

  • 1596-52-7

System Generated Number

  • 0001596527

Structure Descriptors

InChI

1S/C9H5N3O5/c13-10-4-3-9(12(16)17)7-5-6(11(14)15)1-2-8(7)10/h1-5H

InChIKey

QERNYYPEFOVKMT-UHFFFAOYSA-N

Smiles

c1cc2c(cc1[N+](=O)[O-])c(cc[n+]2[O-])[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.9 (none)   EXP
Water Solubility 1980 mg/L 25 EST
Vapor Pressure 4.65E-08 mm Hg 25 EST
Henry's Law Constant 1.07E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.57E-13 cm3/molecule-sec 25 EST

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