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Substance Name: 2,4,6-Trinitrobenzoic acid
RN: 129-66-8
UNII: 134ID308V9
InChIKey: KAQBNBSMMVTKRN-UHFFFAOYSA-N

Molecular Formula

  • C7-H3-N3-O8

Molecular Weight

  • 257.114
 
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Names and Synonyms

Name of Substance

  • 2,4,6-Trinitrobenzoic acid

Synonyms

  • 2,4,6-Trinitrobenzoic acid
  • Benzoic acid, 2,4,6-trinitro-
  • Benzoic acid, trinitro- (dry)
  • Benzoic acid, trinitro- (wet)
  • CCRIS 9296
  • EINECS 204-958-2
  • HSDB 1010
  • NSC 133453
  • s-Trinitrobenzoic acid
  • Sym-trinitrobenzoic acid
  • Trinitrobenzoic acid
  • Trinitrobenzoic acid (VAN)
  • UNII-134ID308V9

Systematic Names

  • 2,4,6-Trinitrobenzoic acid
  • Benzoic acid, 2,4,6-trinitro-
  • Benzoic acid, 2,4,6-trinitro- (8CI)(9CI)

Superlist Names

  • Trinitrobenzoic acid, dry or wetted with < 30% water, by mass
  • Trinitrobenzoic acid, dry or wetted with <30% water, by mass
  • Trinitrobenzoic acid, dry or wetted with <30% water, by mass [UN0215] [Explosive 1.1D]
  • Trinitrobenzoic acid, wetted with not <30% water, by mass
  • Trinitrobenzoic acid, wetted with not <30% water, by mass [UN1355] [Flammable solid]
  • UN0215
  • UN1355

Registry Numbers

CAS Registry Number

  • 129-66-8

FDA UNII

  • 134ID308V9

System Generated Number

  • 0000129668

Structure Descriptors

InChI

1S/C7H3N3O8/c11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h1-2H,(H,11,12)

InChIKey

KAQBNBSMMVTKRN-UHFFFAOYSA-N

Smiles

c1(c(cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-])C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 228 dec deg C   EXP
pKa Dissociation Constant 0.654 (none) 25 EXP
log P (octanol-water) 0.230 (none)   EST
Water Solubility 2.05E+04 mg/L 25 EXP
Vapor Pressure 7.09E-09 mm Hg 25 EST
Henry's Law Constant 2.62E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.20E-13 cm3/molecule-sec 25 EST

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