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Substance Name: Styphnic acid
RN: 82-71-3
UNII: R4TJB1U00D
InChIKey: IXHMHWIBCIYOAZ-UHFFFAOYSA-N

Molecular Formula

  • C6-H3-N3-O8

Molecular Weight

  • 245.103
 
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Names and Synonyms

Name of Substance

  • Styphnic acid

Synonyms

  • 2,4,6-Trinitro-1,3-benzenediol
  • 2,4,6-Trinitroresorcinol
  • 2,4-Dihydroxy-1,3,5-trinitrobenzene
  • AI3-08927
  • CCRIS 3107
  • EINECS 201-436-6
  • NSC 36932
  • Styphnic acid
  • UNII-R4TJB1U00D

Systematic Names

  • 1,3-Benzenediol, 2,4,6-trinitro-
  • 2,4,6-Trinitroresorcinol
  • Resorcinol, 2,4,6-trinitro- (8CI)
  • Styphnic acid

Superlist Names

  • Trinitroresorcinol or styphnic acid, dry or wetted with < 20% water, or mixture of alcohol and water, by mass
  • Trinitroresorcinol or styphnic acid, dry or wetted with <20% water, or mixture of alcohol and water, by mass
  • Trinitroresorcinol or styphnic acid, dry or wetted with <20% water, or mixture of alcohol and water, by mass [UN0219] [Explosive 1.1D]
  • Trinitroresorcinol or styphnic acid, wetted with not < 20% water, or mixture of alcohol and water, by mass
  • Trinitroresorcinol, wetted or styphnic acid, wetted with not <20% water or mixture of alcohol and water, by mass
  • Trinitroresorcinol, wetted or styphnic acid, wetted with not <20% water or mixture of alcohol and water, by mass [UN0394] [Explosive 1.1D]
  • UN0219
  • UN0394

Registry Numbers

CAS Registry Number

  • 82-71-3

FDA UNII

  • R4TJB1U00D

System Generated Number

  • 0000082713

Structure Descriptors

InChI

1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H

InChIKey

IXHMHWIBCIYOAZ-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 175.5 deg C   EXP
log P (octanol-water) 1.060 (none)   EST
Water Solubility 5340 mg/L 25 EXP
Vapor Pressure 2.57E-09 mm Hg 25 EST
Henry's Law Constant 3.58E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.81E-13 cm3/molecule-sec 25 EST

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