ChemSpider 2D Image | 5-Chloro-4-(chloromethyl)-2-thiophenecarboxylic acid | C6H4Cl2O2S

5-Chloro-4-(chloromethyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC6H4Cl2O2S
  • Average mass211.066 Da
  • Monoisotopic mass209.930908 Da
  • ChemSpider ID24609627

More details:

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

2-Thiophenecarboxylic acid, 5-chloro-4-(chloromethyl)- [ACD/Index Name]
5-Chlor-4-(chlormethyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Chloro-4-(chloromethyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-4-(chlorométhyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
[1223748-49-9] [RN]
1223748-49-9 [RN]
5-Chloro-4-(chloromethyl)thiophene-2-carboxylic acid
5-chloro-4-(chloromethyl)thiophene-2-carboxylicacid
MFCD14708236 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 355.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.3±3.0 kJ/mol
    Flash Point: 168.5±27.9 °C
    Index of Refraction: 1.623
    Molar Refractivity: 46.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.90
    ACD/LogD (pH 5.5): 0.76
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.42
    ACD/LogD (pH 7.4): -0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 18.3±0.5 10-24cm3
    Surface Tension: 59.2±3.0 dyne/cm
    Molar Volume: 131.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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