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Substance Name: 2-Nitrobenzoic acid
RN: 552-16-9
UNII: S6S4653K7Z
InChIKey: SLAMLWHELXOEJZ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H5-N-O4

Molecular Weight

  • 167.1195
 
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Names and Synonyms

Name of Substance

  • 2-Nitrobenzoic acid

Synonyms

  • 2-Nitrobenzoic acid
  • AI3-08821
  • CCRIS 2334
  • EINECS 209-004-9
  • NSC 9576
  • o-Carboxynitrobenzene
  • o-Nitrobenzoic acid
  • UNII-S6S4653K7Z

Systematic Names

  • 2-Nitrobenzoic acid
  • Benzoic acid, 2-nitro-
  • Benzoic acid, o-nitro-
  • o-Nitrobenzoic acid

Registry Numbers

CAS Registry Number

  • 552-16-9

FDA UNII

  • S6S4653K7Z

System Generated Number

  • 0000552169

Structure Descriptors

InChI

1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)

InChIKey

SLAMLWHELXOEJZ-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)O)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 147.5 deg C   EXP
pKa Dissociation Constant 2.47 (none) 20 EXP
log P (octanol-water) 1.46 (none)   EXP
Water Solubility 7850 mg/L 25 EXP
Vapor Pressure 7.14E-05 mm Hg 25 EST
Henry's Law Constant 4.28E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.86E-13 cm3/molecule-sec 25 EST

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