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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-(4-chloro-6-ethylphenylamino-2-s-triazinylamino)-5-hydroxy-6-(4-methyl-2-sulfophenylazo)-, trisodium salt
RN: 73816-74-7
InChIKey: KAAYWWJCOOCCSJ-FEISSGSOSA-K

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C28-H24-Cl-N7-O10-S3.3Na

Molecular Weight

  • 816.134
 
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Names and Synonyms

Synonyms

  • Cerven brilantni ostazinova H-3B
  • Cerven brilantni ostazinova H-3B [Czech]
  • EINECS 277-616-3

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-(4-chloro-6-ethylphenylamino-2-s-triazinylamino)-5-hydroxy-6-(4-methyl-2-sulfophenylazo)-, trisodium salt
  • Trisodium 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methyl-2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 73816-74-7

System Generated Number

  • 0073816747

Molecular Formulas

Molecular Formula

  • C28-H24-Cl-N7-O10-S3.3Na

Molecular Formula Fragments

  • C28-H24-Cl-N7-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H24ClN7O10S3.3Na/c1-3-36(17-7-5-4-6-8-17)28-32-26(29)31-27(33-28)30-20-14-18(47(38,39)40)12-16-13-22(49(44,45)46)24(25(37)23(16)20)35-34-19-10-9-15(2)11-21(19)48(41,42)43;;;/h4-14,37H,3H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33);;;/q;3*+1/p-3/b35-34+;;;

InChIKey

KAAYWWJCOOCCSJ-FEISSGSOSA-K

Smiles

c12c(cc(S(=O)(=O)[O-])c(c2O)\N=N\c2c(cc(C)cc2)S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc1Nc1nc(N(c2ccccc2)CC)nc(n1)Cl.[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 6730mg/kg (6730mg/kg)   "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972Vol. -, Pg. 234, 1972.