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Substance Name: 6-Methoxy-8-nitroquinoline
RN: 85-81-4
UNII: ATS412O1XO
InChIKey: MIMUSZHMZBJBPO-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H8-N2-O3

Molecular Weight

  • 204.184
 
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Names and Synonyms

Name of Substance

  • 6-Methoxy-8-nitroquinoline

Synonyms

  • 5-21-03-00248 (Beilstein Handbook Reference)
  • 6-Methoxy-8-nitroquinoline
  • 8-Nitro-6-methoxyquinoline
  • AI3-16314
  • BRN 0168992
  • EINECS 201-633-7
  • NSC 1883
  • UNII-ATS412O1XO

Systematic Names

  • Methyl 8-nitro-6-quinolyl ether
  • Quinoline, 6-methoxy-8-nitro-

Registry Numbers

CAS Registry Number

  • 85-81-4

FDA UNII

  • ATS412O1XO

System Generated Number

  • 0000085814

Structure Descriptors

InChI

1S/C10H8N2O3/c1-15-8-5-7-3-2-4-11-10(7)9(6-8)12(13)14/h2-6H,1H3

InChIKey

MIMUSZHMZBJBPO-UHFFFAOYSA-N

Smiles

c12c(cc(OC)cc1cccn2)[N+]([O-])=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 159 deg C   EXP
log P (octanol-water) 1.87 (none)   EXP
Water Solubility 429 mg/L 25 EST
Vapor Pressure 2.38E-05 mm Hg 25 EST
Henry's Law Constant 1.61E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.48E-12 cm3/molecule-sec 25 EST

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