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Substance Name: 5-Nitrosalicylic acid
RN: 96-97-9
UNII: 82L9G7FYZ3
InChIKey: PPDRLQLKHRZIJC-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-N-O5

Molecular Weight

  • 183.1185
 
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Names and Synonyms

Name of Substance

  • 5-Nitrosalicylic acid

Synonyms

  • 2-Hydroxy-5-nitrobenzoic acid
  • 5-Nitro-2-hydroxybenzoic acid
  • 5-Nitrosalicylic acid
  • AI3-08840
  • Anilotic acid
  • EC 202-548-8
  • EINECS 202-548-8
  • NSC 183
  • UNII-82L9G7FYZ3

Systematic Names

  • 5-Nitrosalicylic acid
  • Benzoic acid, 2-hydroxy-5-nitro-
  • Salicylic acid, 5-nitro- (8CI)

Registry Numbers

CAS Registry Number

  • 96-97-9

FDA UNII

  • 82L9G7FYZ3

System Generated Number

  • 0000096979

Structure Descriptors

InChI

1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)

InChIKey

PPDRLQLKHRZIJC-UHFFFAOYSA-N

Smiles

OC(=O)c1cc(ccc1O)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 229.5 deg C   EXP
pKa Dissociation Constant 2.12 (none) 25 EXP
log P (octanol-water) 2.34 (none)   EXP
Water Solubility 2000 mg/L 45 EXP
Vapor Pressure 1.16E-06 mm Hg 25 EST
Henry's Law Constant 5.60E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.20E-12 cm3/molecule-sec 25 EST

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