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Substance Name: 2,4-Dinitrobenzoic acid
RN: 610-30-0
InChIKey: ZIIGSRYPZWDGBT-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

  • 2,4-Dinitrobenzoic acid

Synonyms

  • 2,4-Dinitrobenzoic acid
  • 4-09-00-01239 (Beilstein Handbook Reference)
  • BRN 0658650
  • CCRIS 1766
  • EINECS 210-219-5
  • NSC 243713

Systematic Names

  • 2,4-Dinitrobenzoic acid
  • Benzoic acid, 2,4-dinitro-

Registry Numbers

CAS Registry Number

  • 610-30-0

System Generated Number

  • 0000610300

Structure Descriptors

InChI

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

InChIKey

ZIIGSRYPZWDGBT-UHFFFAOYSA-N

Smiles

c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 182 deg C   EXP
pKa Dissociation Constant 1.42 (none) 25 EXP
log P (octanol-water) 1.170 (none)   EST
Water Solubility 1.82E+04 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 5.28E-13 cm3/molecule-sec 25 EST

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