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Substance Name: 3-Nitrosalicylic acid
RN: 85-38-1
UNII: 47661X4L2C
InChIKey: WWWFHFGUOIQNJC-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-N-O5

Molecular Weight

  • 183.1185
 
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Names and Synonyms

Name of Substance

  • 3-Nitrosalicylic acid

Synonyms

  • 2-Hydroxy-3-nitrobenzoic acid
  • 3-Nitrosalicylic acid
  • 4-10-00-00228 (Beilstein Handbook Reference)
  • AI3-08930
  • BRN 2213132
  • NSC 182
  • UNII-47661X4L2C

Systematic Names

  • Benzoic acid, 2-hydroxy-3-nitro-
  • Salicylic acid, 3-nitro-

Registry Numbers

CAS Registry Number

  • 85-38-1

FDA UNII

  • 47661X4L2C

System Generated Number

  • 0000085381

Structure Descriptors

InChI

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

InChIKey

WWWFHFGUOIQNJC-UHFFFAOYSA-N

Smiles

c1cc(c(c(c1)[N+](=O)[O-])O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 148 deg C   EXP
log P (octanol-water) 2.640 (none)   EST
Water Solubility 1300 mg/L 16 EXP
Vapor Pressure 1.16E-06 mm Hg 25 EST
Henry's Law Constant 1.77E-07 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.