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Substance Name: C.I. Disperse Blue 79
RN: 12239-34-8
UNII: 5H8O3YER4S
InChIKey: VQIRFOAILLIZOY-BYYHNAKLSA-N

Molecular Formula

  • C24-H27-Br-N6-O10

Molecular Weight

  • 639.4133
 
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Names and Synonyms

Results Name

  • C.I. Disperse Blue 79

Name of Substance

  • Disperse Blue 79

Synonyms

  • 4-(2-Bromo-4,6-dinitrophenylazo)-5-acetylamino-2-ethoxy-N,N-bis(beta-acetoxyethyl)aniline
  • C.I. Disperse Blue 79
  • EINECS 235-475-5
  • UNII-5H8O3YER4S

Systematic Names

  • 2,2'-((5-Acetamide-4-((2-bromo-4,6-dinitrophenyl)azo)-2-ethoxyphenyl)imino)diethyl diacetate
  • Acetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)-4-ethoxyphenyl)-
  • Acetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-4-ethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 12239-34-8

FDA UNII

  • 5H8O3YER4S

Other Registry Numbers

  • 301323-52-4
  • 3956-55-6
  • 50814-74-9
  • 52276-87-6
  • 67426-79-3
  • 73299-48-6

System Generated Number

  • 0012239348

Structure Descriptors

InChI

1S/C24H27BrN6O10/c1-5-39-23-13-20(27-28-24-18(25)10-17(30(35)36)11-22(24)31(37)38)19(26-14(2)32)12-21(23)29(6-8-40-15(3)33)7-9-41-16(4)34/h10-13H,5-9H2,1-4H3,(H,26,32)/b28-27+

InChIKey

VQIRFOAILLIZOY-BYYHNAKLSA-N

Smiles

CCOc1cc(c(cc1N(CCOC(=O)C)CCOC(=O)C)NC(=O)C)/N=N/c2c(cc(cc2Br)[N+](=O)[O-])[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 157 deg C   EXP
log P (octanol-water) 5.530 (none)   EST
Water Solubility 9.38E-04 mg/L 25 EXP
Vapor Pressure 7.20E-18 mm Hg 25 EST
Henry's Law Constant 1.30E-24 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.49E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.