Cas no 12222-97-8 (Disperse Blue 102)

Disperse Blue 102 structure
Disperse Blue 102 structure
Product Name:Disperse Blue 102
CAS No:12222-97-8
MF:C15H19N5O4S
MW:365.4074614048
CID:86733
PubChem ID:112153
Update Time:2025-04-18

Disperse Blue 102 Chemical and Physical Properties

Names and Identifiers

    • Disperse Blue 102
    • 3-(ethyl{3-methyl-4-[(E)-(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}amino)propane-1,2-diol
    • C.I. Disperse Blue 102
    • W-111391
    • 1,2-Propanediol, 3-(ethyl(3-methyl-4-((5-nitro-2-thiazolyl)azo)phenyl)amino)-
    • 69766-79-6
    • 12222-97-8
    • 1,2-Propanediol, 3-(ethyl(3-methyl-4-(2-(5-nitro-2-thiazolyl)diazenyl)phenyl)amino)-
    • 3-[ETHYL[3-METHYL-4-[(5-NITROTHIAZOL-2-YL)AZO]PHENYL]AMINO]PROPANE-1,2-DIOL
    • 3-(Ethyl(3-methyl-4-((5-nitro-2-thiazolyl)azo)phenyl)amino)-1,2-propanediol
    • 1,2-Propanediol, 3-[ethyl[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]amino]-
    • 3-(Ethyl(3-methyl-4-((5-nitrothiazol-2-yl)azo)phenyl)amino)propane-1,2-diol
    • NS00061461
    • 1,2-Propanediol, 3-[ethyl[3-methyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]amino]-
    • Disperse Blue 102 100 microg/mL in Acetonitrile
    • DTXSID20864323
    • 3-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]propane-1,2-diol
    • FT-0625324
    • EINECS 274-106-2
    • Inchi： 1S/C15H19N5O4S/c1-3-19(8-12(22)9-21)11-4-5-13(10(2)6-11)17-18-15-16-7-14(25-15)20(23)24/h4-7,12,21-22H,3,8-9H2,1-2H3/b18-17+
    • InChI Key： COCWIIAFGQLMGS-ISLYRVAYSA-N
    • SMILES： S1C(=CN=C1/N=N/C1C=CC(=CC=1C)N(CC)CC(CO)O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 365.116
  • Monoisotopic Mass: 365.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 7
  • Complexity: 464
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 155A^2
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 597.4±60.0 °C at 760 mmHg
  • Flash Point: 315.1±32.9 °C
  • Refractive Index: 1.664
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

Disperse Blue 102 Security Information

Disperse Blue 102 Pricemore >>

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