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Substance Name: 4-Hydroxy-3-nitrobenzoic acid
RN: 616-82-0
InChIKey: QRYSWXFQLFLJTC-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-N-O5

Molecular Weight

  • 183.1185
 
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Names and Synonyms

Synonyms

  • 3-Nitro-4-hydrobenzoic acid
  • 4-Hydroxy-3-nitrobenzoic acid
  • EINECS 210-494-1
  • NSC 78436

Systematic Names

  • 4-Hydroxy-3-nitrobenzoic acid
  • Benzoic acid, 4-hydroxy-3-nitro- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 616-82-0

System Generated Number

  • 0000616820

Structure Descriptors

InChI

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

InChIKey

QRYSWXFQLFLJTC-UHFFFAOYSA-N

Smiles

c1cc(c(cc1C(=O)O)[N+](=O)[O-])O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 229-231 deg C   EXP
log P (octanol-water) 1.85 (none)   EXP
Water Solubility 1400 mg/L 25 EST
Vapor Pressure 1.16E-06 mm Hg 25 EST
Henry's Law Constant 1.41E-10 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.