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Substance Name: Aniline hemisulfate
RN: 542-16-5
UNII: 3BM77321CW
InChIKey: FUKMEFZGEMVGLD-UHFFFAOYSA-N

Molecular Formula

  • C6-H7-N.1/2H2-O4-S

Molecular Weight

  • 284.334
 
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Names and Synonyms

Name of Substance

  • Aniline hemisulfate

Synonyms

  • Aniline sulfate
  • Benzenamine, sulfate (2:1)
  • EINECS 208-805-0
  • UNII-3BM77321CW

Systematic Names

  • Benzenamine, sulfate (2:1)
  • Dianilinium sulphate

Registry Numbers

CAS Registry Number

  • 542-16-5

FDA UNII

  • 3BM77321CW

Related Registry Number

  • 62-53-3 (Parent)

System Generated Number

  • 0000542165

Molecular Formulas

Molecular Formula

  • C6-H7-N.1/2H2-O4-S

Molecular Formula Fragments

  • C6-H7-N
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C6H7N.H2O4S/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5H,7H2;(H2,1,2,3,4)

InChIKey

FUKMEFZGEMVGLD-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)O.c1(ccccc1)N.c1(ccccc1)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.010 (none)   EST
Water Solubility 6.60E+04 mg/L 15 EXP
Vapor Pressure 9.70E-17 mm Hg 25 EST
Henry's Law Constant 1.22E-22 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.34E-13 cm3/molecule-sec 25 EST

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