ChemSpider 2D Image | MFCD22565734 | C9H2D6Cl3NO2S

MFCD22565734

  • Molecular FormulaC9H2D6Cl3NO2S
  • Average mass306.626 Da
  • Monoisotopic mass304.971802 Da
  • ChemSpider ID28295611

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Isoindole-1,3(2H)-dione-4,5,6,7-d4, 3a,4,7,7a-tetrahydro-4,7-d2-2-[(trichloromethyl)thio]- [ACD/Index Name]
2-[(Trichlormethyl)sulfanyl](4,4,5,6,7,7-2H6)-3a,4,7,7a-tetrahydro-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(Trichloromethyl)sulfanyl](4,4,5,6,7,7-2H6)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[(Trichlorométhyl)sulfanyl](4,4,5,6,7,7-2H6)-3a,4,7,7a-tétrahydro-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
Captan-3,3,4,5,6,6-d6
MFCD22565734
1330190-00-5 [RN]
27813-21-4 [RN]
4,4,5,6,7,7-hexadeuterio-2-(trichloromethylsulfanyl)-3a,7a-dihydroisoindole-1,3-dione
Captan D6 100 ?g/mL in Acetone. Short expiry date due to chemical nature of component(s)
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 314.2±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.5±3.0 kJ/mol
    Flash Point: 143.8±30.7 °C
    Index of Refraction: 1.636
    Molar Refractivity: 66.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.85
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 27.30
    ACD/KOC (pH 5.5): 371.19
    ACD/LogD (pH 7.4): 2.19
    ACD/BCF (pH 7.4): 27.30
    ACD/KOC (pH 7.4): 371.19
    Polar Surface Area: 63 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 61.8±5.0 dyne/cm
    Molar Volume: 184.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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