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Substance Name: Prism yellow
RN: 131013-81-5
InChIKey: WPYDLALKWDHDQN-GLCFPVLVSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formulas

  • C12-H36-N3.C16-H9-N4-O9-S2
  • C16-H9-N4-O9-S2.3C4-H12-N

Molecular Weight

  • 690.859
 
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Names and Synonyms

Results Name

  • Prism yellow

Synonyms

  • Acid yellow 23, tetramethylammonium salt
  • EC 406-073-9
  • Prism yellow
  • RCC NOTOX substance 9747

Systematic Names

  • Methanaminium, N,N,N-trimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-(2-(4-sulfophenyl)diazenyl)-1H-pyrazole-3-carboxylate (3:1)
  • Methanaminium, N,N,N-trimethyl-, salt with 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic acid (3:1)
  • Tris(tetramethylammonium) 5-hydroxy-1-(4-sulphonatophenyl)-4-(4-sulphonatophenylazo)pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 131013-81-5

System Generated Number

  • 0131013815

Molecular Formulas

Molecular Formulas

  • C12-H36-N3.C16-H9-N4-O9-S2
  • C16-H9-N4-O9-S2.3C4-H12-N

Molecular Formula Fragments

  • C12-H36-N3
  • C16-H9-N4-O9-S2
  • C4-H12-N
  • COMPONENT

Structure Descriptors

InChI

1S/C16H12N4O9S2.3C4H12N/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;3*1-5(2,3)4/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);3*1-4H3/q;3*+1/b18-17+;;;

InChIKey

WPYDLALKWDHDQN-GLCFPVLVSA-N

Smiles

N1(c2ccc(cc2)S(=O)(=O)O)N=C([C@@H](C1=O)\N=N\c1ccc(cc1)S(=O)(=O)O)C(=O)O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 81mg/kg (81mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0535824,