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| CAS No.: | 87674-20-2 |
|---|---|
| Name: | 2-Acetyl-3-fluoropyridine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H6FNO |
| Molecular Weight: | 139.129 |
| Synonyms: | 1-(3-Fluoro-2-pyridinyl)ethanone; |
| Density: | 1.175 g/cm3 |
| Boiling Point: | 179.7 °C at 760 mmHg |
| Flash Point: | 62.5 °C |
| PSA: | 29.96000 |
| LogP: | 1.42330 |
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Specification
The 2-Acetyl-3-fluoropyridine with its cas register number is 87674-20-2. It also can be called as Ethanone,1-(3-fluoro-2-pyridinyl)- and the Systematic name about this chemical is ethanone, 1-(3-fluoro-2-pyridinyl)-. It belongs to the following product categories, such as Acetylgroup, Pyridine, Pyridines, Boronic Acid and so on.
Physical properties about 2-Acetyl-3-fluoropyridine are: (1)ACD/LogP: 0.49; (2)ACD/LogD (pH 5.5): 0.49; (3)ACD/LogD (pH 7.4): 0.49; (4)ACD/BCF (pH 5.5): 1.39; (5)ACD/BCF (pH 7.4): 1.39; (6)ACD/KOC (pH 5.5): 43.96; (7)ACD/KOC (pH 7.4): 43.96; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96Å2; (11)Index of Refraction: 1.492; (12)Molar Refractivity: 34.36 cm3; (13)Molar Volume: 118.3 cm3; (14)Polarizability: 13.62x10-24cm3; (15)Surface Tension: 37.8 dyne/cm; (16)Enthalpy of Vaporization: 41.6 kJ/mol; (17)Vapour Pressure: 0.928 mmHg at 25°C .
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1c(cccn1)F
(2)InChI: InChI=1/C7H6FNO/c1-5(10)7-6(8)3-2-4-9-7/h2-4H,1H3
(3)InChIKey: CCZMVVFNNQQTFC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H6FNO/c1-5(10)7-6(8)3-2-4-9-7/h2-4H,1H3
(5)Std. InChIKey: CCZMVVFNNQQTFC-UHFFFAOYSA-N