Cas no 30124-94-8 (Disperse Red 82)

Disperse Red 82 structure
Disperse Red 82 structure
Product Name:Disperse Red 82
CAS No:30124-94-8
MF:C21H21N5O6
MW:439.421344518662
CID:53574
PubChem ID:121639
Update Time:2025-04-18

Disperse Red 82 Chemical and Physical Properties

Names and Identifiers

    • Disperse Red 82
    • C.I. 11140
    • 2-[[4-[Bis[2-(acetyloxy)ethyl]amino]phenyl]azo]-5-nitrobenzonitrile
    • Balicron Red C-3B
    • Begacron Red 3B
    • C.I. Disperse Red 82
    • Disperse Rubine SE-BBL
    • Hisperse Red C-3B
    • TERASIL RED 3BL
    • Tulaspeck Red 3B-PE.
    • N,N-Bis(2-(acetyloxy)ethyl)-4-((2-cyano-4-nitrophenyl)azo)benzeneamine
    • Tox21_302510
    • DISPERSE RED B-BL
    • GRMDKKJYMUDEJO-UHFFFAOYSA-N
    • CI 11140
    • CIBACET RED 3BL
    • NS00020188
    • NCGC00256740-01
    • 2-[N-(2-acetyloxyethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl acetate
    • DISPERSOL RED C 3B
    • 2-((4-((BIS(2-HYDROXYETHYL))AMINO)PHENYL)AZO)-5-NITROBENZONITRILE DIACETATE (ESTER)
    • CI DISPERSE RED 82
    • 3-Nitro-6-((4-(N,N-diacetoxyethylamino)phenyl)azo)benzonitrile)
    • 043XMP654U
    • Benzonitrile, 2-(2-(4-(bis(2-(acetyloxy)ethyl)amino)phenyl)diazenyl)-5-nitro-
    • 4-(2'-cyano-4'-nitrophenylazo)-N,N-di(beta-acetoxyethyl)aniline
    • 30124-94-8
    • 2-((4-(Bis(2-(acetyloxy)ethyl)amino)phenyl)azo)-5-nitrobenzonitrile
    • Benzonitrile, 2-((4-(bis(2-(acetyloxy)ethyl)amino)phenyl)azo)-5-nitro-
    • Benzonitrile, 2-[[4-[bis[2-(acetyloxy)ethyl]amino]phenyl]azo]-5-nitro-
    • SCHEMBL8529033
    • CHEMBL3182785
    • 2-((4-((Bis(2-hydroxyethyl))amino)phenyl)azo)-5-nitrobenzonitrile, diacetate (ester)
    • FT-0729421
    • DTXCID4024642
    • DTXSID6044642
    • CAS-30124-94-8
    • NS00121715
    • DisperseRed82
    • Q27247613
    • EINECS 250-061-4
    • 12223-42-6
    • UNII-043XMP654U
    • Inchi： 1S/C21H21N5O6/c1-15(27)31-11-9-25(10-12-32-16(2)28)19-5-3-18(4-6-19)23-24-21-8-7-20(26(29)30)13-17(21)14-22/h3-8,13H,9-12H2,1-2H3/b24-23+
    • InChI Key： GRMDKKJYMUDEJO-WCWDXBQESA-N
    • SMILES： O(C(C)=O)CCN(C1C=CC(=CC=1)/N=N/C1C=CC(=CC=1C#N)[N+](=O)[O-])CCOC(C)=O

Computed Properties

  • Exact Mass: 439.14900
  • Monoisotopic Mass: 439.149
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 11
  • Complexity: 702
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 150A^2
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.28
  • Boiling Point: 620.2°Cat760mmHg
  • Flash Point: 328.9 °C
  • PSA: 150.17000
  • LogP: 4.33768

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