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Substance Name: Monosodium 5-sulfoisophthalate
RN: 6362-79-4
UNII: 5I79J6MURZ
InChIKey: YXTFRJVQOWZDPP-UHFFFAOYSA-M

Classification Code

  • Skin / Eye Irritant

Molecular Formulas

  • C8-H5-O7-S.Na
  • C8-H6-O7-S.Na

Molecular Weight

  • 268.177
 
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Names and Synonyms

Name of Substance

  • Monosodium 5-sulfoisophthalate

Synonyms

  • 3,5-Dicarboxybenzenesulfonic acid, sodium salt
  • 3,5-Dikarboxybenzensulfonan sodny
  • 3,5-Dikarboxybenzensulfonan sodny [Czech]
  • Benzene-1,3-dicarboxylic acid, 5-sulfo-, monosodium salt
  • EC 228-845-2
  • EINECS 228-845-2
  • Kyselina 3,5-dikarboxybenzensulfonova sodny
  • Kyselina 3,5-dikarboxybenzensulfonova sodny [Czech]
  • Monosodium 5-sulfoisophthalate
  • UNII-5I79J6MURZ

Systematic Names

  • 1,3-Benzenedicarboxylic acid, 5-sulfo-, monosodium salt
  • 1,3-Benzenedicarboxylic acid, 5-sulfo-, sodium salt (1:1)
  • Benzenesulfonic acid, 3,5-dicarboxy-, sodium salt
  • Sodium hydrogen-5-sulphoisophthalate

Superlist Name

  • Isophthalic acid, 5-sulfo-, monosodium salt

Registry Numbers

CAS Registry Number

  • 6362-79-4

FDA UNII

  • 5I79J6MURZ

Other Registry Number

  • 90021-69-5

System Generated Number

  • 0006362794

Molecular Formulas

Molecular Formulas

  • C8-H5-O7-S.Na
  • C8-H6-O7-S.Na

Molecular Formula Fragments

  • C8-H5-O7-S
  • C8-H6-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1

InChIKey

YXTFRJVQOWZDPP-UHFFFAOYSA-M

Smiles

c1(cc(cc(c1)C(O)=O)C(=O)O)S([O-])(=O)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 6450mg/kg (6450mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1056, 1986.