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Substance Name: 4-Biphenylsulfonic acid, sodium salt
RN: 2217-82-5
InChIKey: HZHAYUNJXPYUHH-UHFFFAOYSA-M

Molecular Formulas

  • C12-H10-O3-S.Na
  • C12-H9-O3-S.Na

Molecular Weight

  • 256.256
 
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Names and Synonyms

Synonyms

  • AI3-15411
  • EINECS 218-717-4
  • NSC 71394
  • Sodium 4-biphenylsulfonate
  • Sodium p-biphenylsulfonate

Systematic Names

  • (1,1'-Biphenyl)-4-sulfonic acid, sodium salt
  • 4-Biphenylsulfonic acid, sodium salt
  • Sodium (1,1'-biphenyl)-4-sulphonate

Registry Numbers

CAS Registry Number

  • 2217-82-5

Related Registry Number

  • 2113-68-0 (Parent)

System Generated Number

  • 0002217825

Molecular Formulas

Molecular Formulas

  • C12-H10-O3-S.Na
  • C12-H9-O3-S.Na

Molecular Formula Fragments

  • C12-H10-O3-S
  • C12-H9-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H10O3S.Na/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H,13,14,15);/q;+1/p-1

InChIKey

HZHAYUNJXPYUHH-UHFFFAOYSA-M

Smiles

c1(c2ccccc2)ccc(S(=O)(=O)[O-])cc1.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo parenteral 720mg/kg (720mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 687, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.67 (none)   EXP
Water Solubility 8.15E+04 mg/L 25 EST
Vapor Pressure 4.79E-14 mm Hg 25 EST
Atmospheric OH Rate Constant 4.11E-12 cm3/molecule-sec 25 EST

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