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Substance Name: Reactive Brilliant Blue KKh
RN: 4499-01-8
UNII: 872P30Z43F
InChIKey: DHHMYWVFMSHEIP-UHFFFAOYSA-L

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C23-H14-Cl2-N6-O8-S2.2Na

Molecular Weight

  • 681.4
 
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Names and Synonyms

Results Name

  • Reactive Brilliant Blue KKh

Name of Substance

  • C.i. reactive Blue 4, disodium salt

Synonyms

  • 2-Anthraquinonesulfonic acid, 1-amino-4-((3-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-, disodium salt
  • Azure KX
  • EINECS 224-797-1
  • Modr Brilantni Ostazinova S-R
  • Modr Brilantni Ostazinova S-R [Czech]
  • Procion Brilliant Blue M-RS
  • Reactive Brilliant Blue KKh
  • Reactive Sky Blue KKh
  • UNII-872P30Z43F

Systematic Names

  • 2-Anthracenesulfonic acid, 1-amino-4-((3-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,1 0-dihydro-9,10-dioxo-, disodium salt
  • 2-Anthracenesulfonic acid, 1-amino-4-((3-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt
  • 2-Anthracenesulfonic acid, 1-amino-4-((3-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
  • Benzenesulfonic acid, 2-(4,6-dichloro-s-triazin-2-ylamino)-4-(4-amino-3-sulfo-1-anthraquinonylamino)-, disodium salt
  • Disodium 1-amino-4-(3-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-4-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 4499-01-8

FDA UNII

  • 872P30Z43F

Other Registry Numbers

  • 106395-95-3
  • 12627-07-5
  • 12640-43-6
  • 1345690-39-2
  • 53126-07-1

Related Registry Number

  • 13324-20-4 (Parent)

System Generated Number

  • 0004499018

Molecular Formulas

Molecular Formula

  • C23-H14-Cl2-N6-O8-S2.2Na

Molecular Formula Fragments

  • C23-H14-Cl2-N6-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H14Cl2N6O8S2.2Na/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33;;/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31);;/q;2*+1/p-2

InChIKey

DHHMYWVFMSHEIP-UHFFFAOYSA-L

Smiles

c12c(C(c3c(cc(c(c3C2=O)N)S(=O)(=O)[O-])Nc2cc(Nc3nc(nc(n3)Cl)Cl)c(S(=O)(=O)[O-])cc2)=O)cccc1.[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 8980mg/kg (8980mg/kg)   "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972Vol. -, Pg. 242, 1972.