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Substance Name: 2,4-Dinitro-N-(4-nitrophenyl)aniline
RN: 970-76-3
InChIKey: MQZAHSOZWFOSGD-UHFFFAOYSA-N

Molecular Formula

  • C12-H8-N4-O6

Molecular Weight

  • 304.217
 
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Names and Synonyms

Synonyms

  • AI3-01555
  • EINECS 213-536-7

Systematic Names

  • 2,4-Dinitro-N-(4-nitrophenyl)aniline
  • Benzenamine, 2,4-dinitro-N-(4-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 970-76-3

System Generated Number

  • 0000970763

Structure Descriptors

InChI

1S/C12H8N4O6/c17-14(18)9-3-1-8(2-4-9)13-11-6-5-10(15(19)20)7-12(11)16(21)22/h1-7,13H

InChIKey

MQZAHSOZWFOSGD-UHFFFAOYSA-N

Smiles

c1(c(Nc2ccc([N+](=O)[O-])cc2)ccc(c1)[N+](=O)[O-])[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.900 (none)   EST
Water Solubility 5.420 mg/L 25 EST
Vapor Pressure 6.04E-09 mm Hg 25 EST
Henry's Law Constant 1.41E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.06E-11 cm3/molecule-sec 25 EST

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