ChemSpider 2D Image | 4-[2-[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid | C19H12Cl2N8O9S2

4-[2-[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC19H12Cl2N8O9S2
  • Average mass631.383 Da
  • Monoisotopic mass629.954590 Da
  • ChemSpider ID102490

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

12225-86-4 [RN]
1H-Pyrazole-3-carboxylic acid, 4-[(E)-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)- [ACD/Index Name]
4-[(E)-{4-[(4,6-Dichlor-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
4-[(E)-{4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
4-[2-[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
Acide 4-[(E)-{4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophényl}diazényl]-5-oxo-1-(4-sulfophényl)-4,5-dihydro-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
1243-66-9 [RN]
4-((4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
MFCD00079553 [MDL number]
Reactive Orange 14

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 2.0±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.836
    Molar Refractivity: 138.2±0.5 cm3
    #H bond acceptors: 17
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: -0.97
    ACD/LogD (pH 5.5): -6.75
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -6.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 271 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 99.8±7.0 dyne/cm
    Molar Volume: 313.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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