Cas no 29765-00-2 (Disperse Red 135)

Disperse Red 135 structure
Disperse Red 135 structure
Product Name:Disperse Red 135
CAS No:29765-00-2
MF:C27H27N5O7
MW:533.532586336136
CID:53521
PubChem ID:122470
Update Time:2025-04-18

Disperse Red 135 Chemical and Physical Properties

Names and Identifiers

    • Disperse Red 135
    • 3-Benzamido-4-[(4-nitrophenyl)azo]phenyliminodiethyl diacetate
    • ({3-(benzoylamino)-4-[(E)-(4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate
    • 1-[1-acetoxyethyl-[3-benzamido-4-(4-nitrophenyl)azo-phenyl]amino]ethyl acetate
    • NS00020627
    • Benzamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(4-nitrophenyl)azo]phenyl]-
    • EINECS 249-830-7
    • N-(2-((4-Nitrophenyl)azo)-5-(N,N-bis(2-acetoxyethyl)amino)phenyl)benzamide
    • 5'-(Bis(2-hydroxymethyl)amino)-2'-((p-nitrophenyl)azo)benzanilide, diacetate (ester)
    • Benzamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-((4-nitrophenyl)azo)phenyl)-
    • Benzamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-(2-(4-nitrophenyl)diazenyl)phenyl)-
    • 29765-00-2
    • N-(5-(Bis(2-acetyloxy)ethyl)amino)-2-(((4-nitrophenyl)azo)phenyl)benzamide
    • DTXSID0067507
    • 2-[N-(2-acetyloxyethyl)-3-benzamido-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate
    • 2-(4-Nitrophenylazo)-5-(N,N-bis(acetoxyethyl)amino)benzanilide
    • Inchi: 1S/C27H27N5O7/c1-19(33)38-16-14-31(15-17-39-20(2)34)24-12-13-25(30-29-22-8-10-23(11-9-22)32(36)37)26(18-24)28-27(35)21-6-4-3-5-7-21/h3-13,18H,14-17H2,1-2H3,(H,28,35)/b30-29+
    • InChI Key: ORNBGJQGKJZRNY-QVIHXGFCSA-N
    • SMILES: O(C(C)=O)CCN(C1C=CC(=C(C=1)NC(C1C=CC=CC=1)=O)/N=N/C1C=CC(=CC=1)[N+](=O)[O-])CCOC(C)=O

Computed Properties

  • Exact Mass: 533.19121
  • Monoisotopic Mass: 533.191048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 13
  • Complexity: 830
  • 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: 156
  • XLogP3: 4.3

Experimental Properties

  • Density: 1.29
  • Boiling Point: 633.7°C at 760 mmHg
  • Flash Point: 337.1°C
  • Refractive Index: 1.608
  • PSA: 152.8
  • LogP: 6.79430
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