| Identification | |
| Name: | 3-Pyridinecarboxylicacid, 6-(trifluoromethyl)-, methyl ester |
| Synonyms: | 6-Trifluoromethylpyridine-3-carboxylicacid methyl ester;methyl 6-(trifluoromethyl)pyridine-3-carboxylate;3-Pyridinecarboxylic acid, 6-(trifluoromethyl)-, methyl ester;6-(Trifluoromethyl)nicotinic Acid Methyl Ester;Methyl 2-(trifluoromethyl)-5-pyridinecarboxylate;Methyl 6-trifluoromethylnicotinate; |
| CAS: | 221313-10-6 |
| Molecular Formula: | C8H6F3NO2 |
| Molecular Weight: | 0 |
| InChI: | InChI=1/C8H6F3NO2/c1-14-7(13)5-2-3-6(12-4-5)8(9,10)11/h2-4H,1H3 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 80.4°C |
| Boiling Point: | 209.4°Cat760mmHg |
| Density: | 1.331g/cm3 |
| Refractive index: | 1.446 |
| Specification: |
The Methyl 6-(trifluoromethyl)nicotinate, with the CAS registry number 221313-10-6, has the systematic name of methyl 6-(trifluoromethyl)pyridine-3-carboxylate. And the molecular formula of the chemical is C8H6F3NO2. The characteristics of this chemical are as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 15.04; (6)ACD/BCF (pH 7.4): 15.04; (7)ACD/KOC (pH 5.5): 242.27; (8)ACD/KOC (pH 7.4): 242.27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 41.09 cm3; (15)Molar Volume: 154 cm3; (16)Polarizability: 16.29×10-24cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 80.4 °C; (20)Enthalpy of Vaporization: 44.57 kJ/mol; (21)Boiling Point: 209.4 °C at 760 mmHg; (22)Vapour Pressure: 0.203 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Flash Point: | 80.4°C |
| Safety Data | |
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