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Substance Name: Orthanilic acid
RN: 88-21-1
UNII: ZB9JSA4BH0
InChIKey: ZMCHBSMFKQYNKA-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H7-N-O3-S

Molecular Weight

  • 173.1913
 
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Names and Synonyms

Name of Substance

  • 2-Sulfanilic acid
  • Orthanilic acid

Synonyms

  • 1-Aminobenzene-2-sulfonic acid
  • 2-Aminobenzenesulfonic acid
  • AI3-52212
  • Aniline-2-sulfonic acid
  • Aniline-o-sulfonic acid
  • Aniline-o-sulphonic acid
  • Anilino-2-sulfonic acid
  • Anilino-o-sulfonic acid
  • Anilino-o-sulphonic acid
  • CCRIS 4575
  • EC 201-810-9
  • EINECS 201-810-9
  • NSC 147
  • o-Aminobenzenesulfonic acid
  • o-Aminophenylsulfonic acid
  • o-Sulfanilic acid
  • Orthanilic acid
  • UNII-ZB9JSA4BH0

Systematic Names

  • 2-Aminobenzenesulphonic acid
  • Benzenesulfonic acid, 2-amino-
  • Benzenesulfonic acid, o-amino-
  • o-Aminobenzenesulfonic acid

Registry Numbers

CAS Registry Number

  • 88-21-1

FDA UNII

  • ZB9JSA4BH0

System Generated Number

  • 0000088211

Structure Descriptors

InChI

1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)

InChIKey

ZMCHBSMFKQYNKA-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)N)S(=O)(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point >320 dec deg C   EXP
log P (octanol-water) -2.080 (none)   EST
Water Solubility 1.06E+04 mg/L 7 EXP
Vapor Pressure 2.02E-07 mm Hg 25 EST
Henry's Law Constant 8.89E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.32E-11 cm3/molecule-sec 25 EST

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