Basic information
- Name:
2-Pyridinecarboxylicacid, 5-(trifluoromethyl)-
- Superlist Name:
- 5-(Trifluoromethyl)pyridine-2-carboxylic acid
- CAS No.:
80194-69-0
- Molecular Structure:
- Formula:
- C7H4F3NO2
- Molecular Weight:
- 191.11
- Synonyms:
- 5-(Trifluoromethyl)pyridine-2-carboxylicacid;5-Trifluoromethylpicolinic acid;5-(Trifluoromethyl)-2-pyridinecarboxylic acid;
- Density:
- 1.485 g/cm3
- Melting Point:
- 135-137 °C
- Boiling Point:
- 273.738 °C at 760 mmHg
- Flash Point:
- 119.353 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26 Details
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Specification
The 5-(Trifluoromethyl)pyridine-2-carboxylic acid, with the CAS registry number 80194-69-0, has the systematic name of 5-(Trifluoromethyl)-2-pyridinecarboxylic acid. It bleongs to the product categories of Pyridines and Carboxylic Acids. And the molecular formula of this chemical is C7H4F3NO2. What's more, it irritates eyes, respiratory system and skin. Therefore, you had better wear suitable protective clothing.
The physical properties of 5-(Trifluoromethyl)pyridine-2-carboxylic acid are as following: (1)ACD/LogP: 1.93; (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: 36.254 cm3; (13)Molar Volume: 128.697 cm3; (14)Polarizability: 14.372×10-24cm3; (15)Surface Tension: 38.586 dyne/cm; (16)Density: 1.485 g/cm3; (17)Flash Point: 119.353 °C; (18)Enthalpy of Vaporization: 54.095 kJ/mol; (19)Boiling Point: 273.738 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ncc1C(F)(F)F)C(=O)O
(2)InChI: InChI=1/C7H4F3NO2/c8-7(9,10)4-1-2-5(6(12)13)11-3-4/h1-3H,(H,12,13)
(3)InChIKey: NJHGVAYLDHROPT-UHFFFAOYAN
