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Substance Name: Trinitroaniline
RN: 26952-42-1
InChIKey: IVOMCIOXYNVSEW-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-N4-O6

Molecular Weight

  • 228.1196
 
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Names and Synonyms

Synonyms

  • EINECS 248-137-7
  • Trinitroaniline

Systematic Names

  • Benzenamine, trinitro-
  • Trinitroaniline

Superlist Name

  • Trinitroaniline

Registry Numbers

CAS Registry Number

  • 26952-42-1

System Generated Number

  • 0026952421

Structure Descriptors

InChI

1S/C6H4N4O6/c7-3-1-2-4(8(11)12)6(10(15)16)5(3)9(13)14/h1-2H,7H2

InChIKey

IVOMCIOXYNVSEW-UHFFFAOYSA-N

Smiles

c1cc(c(c(c1N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.110 (none)   EST
Water Solubility 3530 mg/L 25 EST
Vapor Pressure 5.56E-07 mm Hg 25 EST
Henry's Law Constant 1.17E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.03E-13 cm3/molecule-sec 25 EST

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