Found 118 results

Search term: MF = 'C_{7}H_{6}Cl_{2}N_{4}'
ChemSpider 2D Image | 4-Chloro-6-(chloromethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine | C7H6Cl2N4

4-Chloro-6-(chloromethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC7H6Cl2N4
  • Average mass217.055 Da
  • Monoisotopic mass215.996948 Da
  • ChemSpider ID25992342

More details:

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

1255147-37-5 [RN]
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-6-(chloromethyl)-1-methyl- [ACD/Index Name]
4-Chlor-6-(chlormethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
4-Chloro-6-(chloromethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
4-Chloro-6-(chlorométhyl)-1-méthyl-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
4-Chloro-6-(chloromethyl)-1-methyl-1H-pyrazolo-[3,4-d]pyrimidine
4-chloro-6-(chloromethyl)-1-methylpyrazolo[3,4-d]pyrimidine
MFCD17069596 [MDL number]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 255.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.3±3.0 kJ/mol
    Flash Point: 108.1±27.3 °C
    Index of Refraction: 1.723
    Molar Refractivity: 51.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.56
    ACD/LogD (pH 5.5): 1.22
    ACD/BCF (pH 5.5): 4.94
    ACD/KOC (pH 5.5): 109.19
    ACD/LogD (pH 7.4): 1.22
    ACD/BCF (pH 7.4): 4.94
    ACD/KOC (pH 7.4): 109.19
    Polar Surface Area: 44 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 56.3±7.0 dyne/cm
    Molar Volume: 130.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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