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Substance Name: 3,5-Dinitrobenzoic acid
RN: 99-34-3
UNII: 4V3F9Q018P
InChIKey: VYWYYJYRVSBHJQ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H4-N2-O6

Molecular Weight

  • 212.1166
 
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Names and Synonyms

Name of Substance

  • 3,5-Dinitrobenzoic acid

Synonyms

  • 3,5-Dinitrobenzoic acid
  • 3-Carboxy-1,5-dinitrobenzene
  • AI3-01801
  • CCRIS 3129
  • Dinitrobenzoic acid
  • DNBA
  • EC 202-751-1
  • EINECS 202-751-1
  • NSC 8732
  • UNII-4V3F9Q018P

Systematic Names

  • 3,5-Dinitrobenzoic acid
  • Benzoic acid, 3,5-dinitro-

Registry Numbers

CAS Registry Number

  • 99-34-3

FDA UNII

  • 4V3F9Q018P

Other Registry Numbers

  • 64582-71-4
  • 73881-46-6

Related Registry Number

  • 57542-56-0 (silver salt)

System Generated Number

  • 0000099343

Structure Descriptors

InChI

1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)

InChIKey

VYWYYJYRVSBHJQ-UHFFFAOYSA-N

Smiles

c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 205 deg C   EXP
pKa Dissociation Constant 2.82 (none) 25 EXP
log P (octanol-water) 1.55 (none)   EXP
Water Solubility 1350 mg/L 25 EXP
Vapor Pressure 1.41E-06 mm Hg 25 EST
Henry's Law Constant 1.69E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.24E-13 cm3/molecule-sec 25 EST

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