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Substance Name: C.I. Disperse Blue 79:1
RN: 3618-72-2
UNII: 7S69658NN7
InChIKey: JSRUDOBCTLPTFO-CYYJNZCTSA-N

Molecular Formula

  • C23-H25-Br-N6-O10

Molecular Weight

  • 625.386
 
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Names and Synonyms

Results Name

  • C.I. Disperse Blue 79:1

Name of Substance

  • Disperse Blue Black 79

Synonyms

  • 3-(2,4-Dinitro-6-bromophenylazo)-4-acetamido-6-(N,N-bis(acetoxyethyl)amino)anisole
  • 4-(6-Bromo-2,4-dinitrophenylazo)-3-acetylamino-6-methoxy-N-bis(acetoxyethyl)aniline
  • Benzeneamine, 5-acetamino-4-((2,4-dinitro-6-bromophenyl)azo)-2-methoxy-N,N-bis((2-acetoxy)ethyl)-
  • C.I. Disperse Blue 79:1
  • CCRIS 9086
  • EINECS 222-813-1
  • UNII-7S69658NN7

Systematic Names

  • 2,2'-((5-Acetamido-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)imino)diethyl diacetate
  • Acetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)-4-methoxyphenyl)-
  • Acetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-4-methoxyphenyl)-
  • C.I. Disperse Blue 79:1

Superlist Name

  • p-Acetanisidide, 5'-(bis(2-hydroxyethyl)amino)-2'-((2-bromo-4,6-dinitrophenyl)azo)-, diacetate (ester)

Registry Numbers

CAS Registry Number

  • 3618-72-2

FDA UNII

  • 7S69658NN7

Other Registry Numbers

  • 158707-49-4
  • 75497-74-4

System Generated Number

  • 0003618722

Structure Descriptors

InChI

1S/C23H25BrN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)/b27-26+

InChIKey

JSRUDOBCTLPTFO-CYYJNZCTSA-N

Smiles

O=C(OCCN(c1c(OC)cc(\N=N\c2c(cc([N+]([O-])=O)cc2[N+](=O)[O-])Br)c(NC(=O)C)c1)CCOC(=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0529270,