Product Name

  • Name

    2-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER

  • EINECS 1312995-182-4
  • CAS No. 208517-35-5
  • Article Data6
  • CAS DataBase
  • Density 1.285 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H8F3NO2
  • Boiling Point 235.757 °C at 760 mmHg
  • Molecular Weight 219.163
  • Flash Point 96.383 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 208517-35-5 (2-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER)
  • Hazard Symbols
  • Synonyms 2-Trifluoromethylnicotinicacid ethyl ester;Ethyl 2-(trifluoromethyl)nicotinate;2-(Trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester;
  • PSA 39.19000
  • LogP 2.27710

Ethyl 2-(trifluoromethyl)nicotinate Specification

The systematic name of 2-(Trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester is ethyl 2-(trifluoromethyl)pyridine-3-carboxylate. With the CAS registry number 208517-35-5, it is also named as 2-Trifluoromethylnicotinicacid ethyl ester. The product's categories are Building Blocks; Pyridine. In addition, its molecular formula is C9H8F3NO2 and molecular weight is 219.16.

The other characteristics of 2-(Trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester can be summarized as: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 38; (6)ACD/BCF (pH 7.4): 38; (7)ACD/KOC (pH 5.5): 473; (8)ACD/KOC (pH 7.4): 473; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 45.73 cm3; (15)Molar Volume: 170.567 cm3; (16)Polarizability: 18.129×10-24cm3; (17)Surface Tension: 31.244 dyne/cm; (18)Density: 1.285 g/cm3; (19)Flash Point: 96.383 °C; (20)Enthalpy of Vaporization: 47.254 kJ/mol; (21)Boiling Point: 235.757 °C at 760 mmHg; (22)Vapour Pressure: 0.049 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1ncccc1C(=O)OCC
(2)InChI: InChI=1/C9H8F3NO2/c1-2-15-8(14)6-4-3-5-13-7(6)9(10,11)12/h3-5H,2H2,1H3
(3)InChIKey: UNDXNPHDXSFEAE-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H8F3NO2/c1-2-15-8(14)6-4-3-5-13-7(6)9(10,11)12/h3-5H,2H2,1H3
(5)Std. InChIKey: UNDXNPHDXSFEAE-UHFFFAOYSA-N

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