Basic information
- Name:
2-Pyridinecarboxylicacid, 6-chloro-3-(trifluoromethyl)-
- Superlist Name:
- 6-Chloro-3-(trifluoromethyl)pyridine-2-carboxylic acid
- CAS No.:
796090-24-9
- Molecular Structure:
- Formula:
- C7H3ClF3NO2
- Molecular Weight:
- 225.55
- Synonyms:
- 2-pyridinecarboxylic acid, 6-chloro-3-(trifluoromethyl)-;6-chloro-3-(trifluoromethyl)pyridine-2-carboxylic acid;
- Density:
- 1.603 g/cm3
- Boiling Point:
- 303.6 °C at 760 mmHg
- Flash Point:
- 137.4 °C
- Hazard Symbols:
Xi
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Specification
The 6-Chloro-3-(trifluoromethyl)pyridine-2-carboxylic acid, with the CAS registry number 796090-24-9, is also called 2-pyridinecarboxylic acid, 6-chloro-3-(trifluoromethyl)-. It bleongs to the product categories of Carboxylic Acids and Pyridines. And the molecular formula of this chemical is C7H3ClF3NO2.
The physical properties of 6-Chloro-3-(trifluoromethyl)pyridine-2-carboxylic acid are as following: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.84; (4)ACD/LogD (pH 7.4): -1.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 41.14 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 16.31×10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.603 g/cm3; (19)Flash Point: 137.4 °C; (20)Enthalpy of Vaporization: 57.43 kJ/mol; (21)Boiling Point: 303.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000407 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(nc(Cl)cc1)C(=O)O
(2)InChI: InChI=1/C7H3ClF3NO2/c8-4-2-1-3(7(9,10)11)5(12-4)6(13)14/h1-2H,(H,13,14)
(3)InChIKey: RZVKZFMJRHANIF-UHFFFAOYAX
