ChemSpider 2D Image | Ethyl 8-(trifluoromethyl)-1,4-dihydro-3-quinolinecarboxylate | C13H12F3NO2

Ethyl 8-(trifluoromethyl)-1,4-dihydro-3-quinolinecarboxylate

  • Molecular FormulaC13H12F3NO2
  • Average mass271.235 Da
  • Monoisotopic mass271.082001 Da
  • ChemSpider ID29364752

More details:

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

3-Quinolinecarboxylic acid, 1,4-dihydro-8-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
8-(Trifluorométhyl)-1,4-dihydro-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 8-(trifluoromethyl)-1,4-dihydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-8-(trifluormethyl)-1,4-dihydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
31602-18-3 [RN]
8-trifluoromethyl-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
ethyl 8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-42021]
    • Safety:

      20/21/22 Novochemy [NC-42021]
      20/21/36/37/39 Novochemy [NC-42021]
      GHS07; GHS09 Novochemy [NC-42021]
      H332; H403 Novochemy [NC-42021]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-42021]
      Warning Novochemy [NC-42021]
      Xn Novochemy [NC-42021]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 313.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.4±3.0 kJ/mol
Flash Point: 143.3±27.9 °C
Index of Refraction: 1.498
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.90
ACD/KOC (pH 5.5): 1064.20
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.90
ACD/KOC (pH 7.4): 1064.20
Polar Surface Area: 38 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 211.2±3.0 cm3

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