Cas no 61968-38-5 (Disperse Orange 31)

Disperse Orange  31 structure
Disperse Orange 31 structure
Product Name:Disperse Orange 31
CAS No:61968-38-5
MF:C19H19N5O4
MW:381.385263681412
CID:57807
PubChem ID:110106
Update Time:2025-04-18

Disperse Orange 31 Chemical and Physical Properties

Names and Identifiers

    • Disperse Orange 31
    • Orange SE-2FLS
    • 3-((2-(Acetyloxy)ethyl)(4-((4-nitrophenyl)azo)phenyl)amino)propiononitrile
    • C.I. Disperse Orange 31
    • Disperse Orange 31
    • 4-(4-Nitrophenylazo)-N-(2-cyanoethyl)-N-(2-acetoxyethyl)aniline
    • UNII-B9AB993875
    • N-(2-Cyanoethyl)-N-(2-acetoxyethyl)-4'-nitroazobenzene-4-amine
    • ACETIC ACID 2-((4'-NITROAZOBENZENE-4-YL)(2-CYANOETHYL)AMINO)ETHYL ESTER
    • 3-[[2-(Acetyloxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
    • Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((4-nitrophenyl)azo)phenyl)amino)-
    • Aniline, 4-(4-nitrophenylazo)-N-(2-cyanoethyl)-N-(2-acetoxyethyl)-
    • 2-(N-(2-CYANOETHYL)-4-((4-NITROPHENYL)DIAZENYL)ANILINE)ETHYL ACETATE
    • 2-((2-CYANOETHYL)(4-((4-NITROPHENYL)DIAZENYL)PHENYL)AMINO)ETHYL ACETATE
    • CCRIS 8993
    • Q27274538
    • 4-NITRO-4'-(N-(2-CYANOETHYL)-N-(2-ACETYLOXYETHYL)AMINO)AZOBENZENE
    • J38.963C
    • Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)-
    • SCHEMBL9005086
    • NS00020112
    • PROPIONITRILE, 3-(N-2-HYDROXYETHYL-P-(P-NITROPHENYLAZO)ANILINE)-, ACETATE
    • EINECS 269-950-3
    • 6657-36-9
    • 61968-38-5
    • DTXSID0071465
    • 68391-42-4
    • OSTACET ORANGE SE 2G
    • B9AB993875
    • C.I. 111135
    • 2-((2-CYANOETHYL)(4-((E)-(4-NITROPHENYL)DIAZENYL)PHENYL)AMINO)ETHYL ACETATE
    • Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]-
    • Aniline, 4-(4-nitrophenylazo)-N-beta-cyanoethyl-N-beta-acetoxyethyl-
    • SCHEMBL13474934
    • 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate
    • Inchi: 1S/C19H19N5O4/c1-15(25)28-14-13-23(12-2-11-20)18-7-3-16(4-8-18)21-22-17-5-9-19(10-6-17)24(26)27/h3-10H,2,12-14H2,1H3/b22-21+
    • InChI Key: QLRDACXDRLGLOC-QURGRASLSA-N
    • SMILES: O(C(C)=O)CCN(C1C=CC(=CC=1)/N=N/C1C=CC(=CC=1)[N+](=O)[O-])CCC#N

Computed Properties

  • Exact Mass: 381.14400
  • Monoisotopic Mass: 381.144
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 9
  • Complexity: 581
  • 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: 124A^2
  • XLogP3: 3.2

Experimental Properties

  • Density: 1.24 g/cmsup>3
  • Boiling Point: 599.6°C at 760 mmHg
  • Flash Point: 599.6 °C at 760 mmHg
  • Refractive Index: 1.598
  • PSA: 123.87000
  • LogP: 4.81658
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