Found 126 results

Search term: MF = 'C_{7}H_{6}ClNO_{4}S'
ChemSpider 2D Image | Ethyl 5-chloro-4-nitro-2-thiophenecarboxylate | C7H6ClNO4S

Ethyl 5-chloro-4-nitro-2-thiophenecarboxylate

  • Molecular FormulaC7H6ClNO4S
  • Average mass235.645 Da
  • Monoisotopic mass234.970612 Da
  • ChemSpider ID24597934

More details:

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

2-Thiophenecarboxylic acid, 5-chloro-4-nitro-, ethyl ester [ACD/Index Name]
5-Chloro-4-nitro-2-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
89640-03-9 [RN]
Ethyl 5-chloro-4-nitro-2-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate
Ethyl-5-chlor-4-nitro-2-thiophencarboxylat [German] [ACD/IUPAC Name]
[57800-76-7] [RN]
2739-97-1 [RN]
2-Pyridylacetonitrile
57800-76-7 [RN]
More...

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

CCRIS 4693 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 358.2±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.4±3.0 kJ/mol
    Flash Point: 170.4±26.5 °C
    Index of Refraction: 1.583
    Molar Refractivity: 52.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.37
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 45.23
    ACD/KOC (pH 5.5): 532.78
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 45.23
    ACD/KOC (pH 7.4): 532.78
    Polar Surface Area: 100 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 54.3±3.0 dyne/cm
    Molar Volume: 157.1±3.0 cm3

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