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Substance Name: Pyrithiobac-sodium [ISO]
RN: 123343-16-8
UNII: 5M13LUJ9WY
InChIKey: CNILNQMBAHKMFS-UHFFFAOYSA-M

Molecular Formula

  • C13-H11-Cl-N2-O4-S.Na

Molecular Weight

  • 348.741
 
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Names and Synonyms

Results Name

  • Pyrithiobac-sodium [ISO]

Name of Substance

  • Pyrithiobac sodium
  • Pyrithiobac-sodium [ISO]

Synonyms

  • DPX-PE 350
  • KIH 2031
  • Pyrithiobac-sodium
  • Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate
  • Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate
  • Staple
  • Staple 85SP
  • UNII-5M13LUJ9WY

Systematic Names

  • Benzoic acid, 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio)-, sodiu, salt
  • Benzoic acid, 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio)-, sodium salt

Registry Numbers

CAS Registry Number

  • 123343-16-8

FDA UNII

  • 5M13LUJ9WY

System Generated Number

  • 0123343168

Molecular Formulas

Molecular Formula

  • C13-H11-Cl-N2-O4-S.Na

Molecular Formula Fragments

  • C13-H11-Cl-N2-O4-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H11ClN2O4S.Na/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18;/h3-6H,1-2H3,(H,17,18);/q;+1/p-1

InChIKey

CNILNQMBAHKMFS-UHFFFAOYSA-M

Smiles

c1(nc(OC)cc(n1)OC)Sc1c(C(=O)[O-])c(Cl)ccc1.[Na+]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 248 deg C   EXP
pKa Dissociation Constant 2.34 (none)   EXP
log P (octanol-water) 0.6 (none)   EXP
Water Solubility 7.28E+05 mg/L 20 EXP
Vapor Pressure 3.60E-11 mm Hg 25 EXP
Henry's Law Constant 2.27E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.90E-10 cm3/molecule-sec 25 EST

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