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Substance Name: Tetranitroaniline
RN: 53014-37-2
InChIKey: NXEMFHROMKRKEG-UHFFFAOYSA-N

Molecular Formula

  • C6-H3-N5-O8

Molecular Weight

  • 273.117
 
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Names and Synonyms

Synonyms

  • EINECS 258-295-9
  • Tetranitroaniline

Systematic Names

  • Benzenamine, tetranitro-
  • Tetranitroaniline

Superlist Names

  • Tetranitroaniline
  • Tetranitroaniline [UN0207] [Explosive 1.1D]
  • UN0207

Registry Numbers

CAS Registry Number

  • 53014-37-2

System Generated Number

  • 0053014372

Structure Descriptors

InChI

1S/C6H3N5O8/c7-4-5(10(16)17)2(8(12)13)1-3(9(14)15)6(4)11(18)19/h1H,7H2

InChIKey

NXEMFHROMKRKEG-UHFFFAOYSA-N

Smiles

c1(c(cc([N+](=O)[O-])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) 0.920 (none)   EST
Water Solubility 70 mg/L 0 EXP
Vapor Pressure 1.23E-08 mm Hg 25 EST
Henry's Law Constant 2.72E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.28E-14 cm3/molecule-sec 25 EST

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