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Substance Name: Dithionitrobenzoic acid
RN: 69-78-3
UNII: 9BZQ3U62JX
InChIKey: KIUMMUBSPKGMOY-UHFFFAOYSA-N

Note

  • A standard reagent for the determination of reactive sulfhydryl groups by absorbance measurements. It is used primarily for the determination of sulfhydryl and disulfide groups in proteins. The color produced is due to the formation of a thio anion, 3-carboxyl-4-nitrothiophenolate.

Molecular Formula

  • C14-H8-N2-O8-S2

Molecular Weight

  • 396.355
 

Classification Codes

  • Indicators and Reagents
  • Sulfhydryl Reagents
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Names and Synonyms

Name of Substance

  • Dithionitrobenzoic acid

MeSH Heading

  • Dithionitrobenzoic acid

Synonyms

  • 2,2'-Dinitro-5,5'-dithiodibenzoesaeure
  • 2,2'-Dinitro-5,5'-dithiodibenzoesaeure [German]
  • 2,2'-Dinitro-5,5'-dithiodibenzoic acid
  • 3,3'-Dithiobis(6-nitrobenzoic acid)
  • Dithiobisnitrobenzoic acid
  • DTNB
  • EINECS 200-714-4
  • UNII-9BZQ3U62JX

Systematic Names

  • 3,3'-Dithiobis(6-nitrobenzoic) acid
  • Benzoic acid, 3,3'-dithiobis(6-nitro-

Registry Numbers

CAS Registry Number

  • 69-78-3

FDA UNII

  • 9BZQ3U62JX

System Generated Number

  • 0000069783

Structure Descriptors

InChI

1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)

InChIKey

KIUMMUBSPKGMOY-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)SSc1cc(c([N+](=O)[O-])cc1)C(O)=O)[N+](=O)[O-])C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2080mg/kg (2080mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 284, 1971.