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CAS No.: | 580-21-2 |
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Name: | 2-FLUOROQUINOLINE |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C9H6FN |
Molecular Weight: | 147.152 |
Synonyms: | 2-Fluoroquinoline; |
Density: | 1.216 g/cm3 |
Boiling Point: | 241.9 °C at 760 mmHg |
Flash Point: | 100.1 °C |
PSA: | 12.89000 |
LogP: | 2.37390 |
The Quinoline, 2-fluoro- is an organic compound with the formula C9H6FN. With the CAS registry number 580-21-2, the IUPAC name of this chemical is 2-fluoroquinoline.
Physical properties about Quinoline, 2-fluoro- are: (1)ACD/LogP: 2.14; (2)ACD/LogD (pH 5.5): 2.14; (3)ACD/LogD (pH 7.4): 2.14; (4)ACD/BCF (pH 5.5): 24.72; (5)ACD/BCF (pH 7.4): 24.72; (6)ACD/KOC (pH 5.5): 345.78; (7)ACD/KOC (pH 7.4): 345.78; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.614; (11)Molar Refractivity: 42.18 cm3; (12)Molar Volume: 120.9 cm3; (13)Polarizability: 16.72×10-24cm3; (14)Surface Tension: 44.4 dyne/cm; (15)Density: 1.216 g/cm3; (16)Flash Point: 100.1 °C; (17)Enthalpy of Vaporization: 45.95 kJ/mol; (18)Boiling Point: 241.9 °C at 760 mmHg; (19)Vapour Pressure: 0.0544 mmHg at 25°C.
Preparation of Quinoline, 2-fluoro-: this chemical can be prepared by quinoline. This reaction will need reagents F2, I2 and solvent 1,1,2-trichloro-1,2,2-trifluoro-ethane. The reaction temperature is 0 °C. The yield is about 54%.
Uses of Quinoline, 2-fluoro-: it can be used to produce 6-hydroxy-pyridine-2,3-dicarboxylic acid and 6-fluoro-pyridine-2,3-dicarboxylic acid at temperature of 20 °C. It will need reagents RuO2, aq. NaOCl and solvent CCl4 with reaction time of 6.5 hours. The yield is about 20%.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1nc2ccccc2cc1
(2)InChI: InChI=1/C9H6FN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
(3)InChIKey: NLEPLDKPYLYCSY-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H6FN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
(5)Std. InChIKey: NLEPLDKPYLYCSY-UHFFFAOYSA-N