Basic information
- Name:
2-Pyridinecarboxylicacid, 6-(trifluoromethyl)-
- Superlist Name:
- 2-Trifluoromethyl-6-pyridinecarboxylic acid
- CAS No.:
131747-42-7
- Molecular Structure:
- Formula:
- C7H4F3NO2
- Molecular Weight:
- 191.11
- Synonyms:
- 6-Trifluoromethyl-2-pyridinecarboxylicacid;6-(trifluoromethyl)pyridine-2-carboxylic acid;2-Pyridinecarboxylic acid, 6-(trifluoromethyl)-;6-(Trifluoromethyl)-2-pyridinecarboxylic acid;6-(trifluoromethyl)pyridine-2-carboxylic acid;6-Trifluoromethylpyridine-2-carboxylic acid;
- Density:
- 1.484 g/cm3
- Boiling Point:
- 263 °C at 760 mmHg
- Flash Point:
- 112.8 °C
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Specification
The 2-Trifluoromethyl-6-pyridinecarboxylic acid, with the CAS registry number 131747-42-7, has the systematic name of 6-(trifluoromethyl)pyridine-2-carboxylic acid. It is a kind of irrritant chemical, and bleongs to the following product categories: Pyridine series; Carboxylic Acids; Pyridines; Carboxylic Acids. And the molecular formula of this chemical is C7H4F3NO2.
The physical properties of 2-Trifluoromethyl-6-pyridinecarboxylic acid are as following: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å2; (11)Index of Refraction: 1.475; (12)Molar Refractivity: 36.25 cm3; (13)Molar Volume: 128.6 cm3; (14)Polarizability: 14.37×10-24cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.484 g/cm3; (17)Flash Point: 112.8 °C; (18)Enthalpy of Vaporization: 52.9 kJ/mol; (19)Boiling Point: 263 °C at 760 mmHg; (20)Vapour Pressure: 0.00533 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(n1)C(O)=O
(2)InChI: InChI=1/C7H4F3NO2/c8-7(9,10)5-3-1-2-4(11-5)6(12)13/h1-3H,(H,12,13)
(3)InChIKey: OKBHXGBLXDNJJD-UHFFFAOYAS
