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| CAS No.: | 372-47-4 |
|---|---|
| Name: | 3-Fluoropyridine |
| Molecular Structure: | |
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| Formula: | C5H4FN |
| Molecular Weight: | 97.0919 |
| Synonyms: | pyridine, 3-fluoro-;Pyridine, 3-fluoro- (8CI)(9CI);3-Fluoro-pyridine; |
| EINECS: | 206-755-4 |
| Density: | 1.118 g/cm3 |
| Melting Point: | 251-254 °C (dec.) |
| Boiling Point: | 107.499 °C at 760 mmHg |
| Flash Point: | 13.333 °C |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
 F,  Xi,  Xn
|
| Risk Codes: | 11-36/37/38-20/21/22 |
| Safety: | 16-26-36/37/39-33-7/9 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 12.89000 |
| LogP: | 1.22070 |
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Specification
The IUPAC name of this chemical is 3-fluoropyridine. With the CAS registry number 372-47-4, it is also named as Pyridine, 3-fluoro- (8CI)(9CI). The product's categories are Fluorin-contained Pyridine Series; Pyridine; Pyridines, Pyrimidines, Purines and Pteredines; Pyridine Series; Halides; Pyridines; Pyridines Derivates; Fluoropyridines; Halopyridines; C5; Heterocyclic Building Blocks. It is clear colorless liquid which should be sealed in the container and stored in a well-ventilated place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.052; (4)ACD/LogD (pH 7.4): 1.053; (5)ACD/BCF (pH 5.5): 3.711; (6)ACD/BCF (pH 7.4): 3.718; (7)ACD/KOC (pH 5.5): 88.922; (8)ACD/KOC (pH 7.4): 89.1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.472; (13)Molar Refractivity: 24.338 cm3; (14)Molar Volume: 86.867 cm3; (15)Polarizability: 9.648×10-24 cm3; (16)Surface Tension: 33.22 dyne/cm; (17)Enthalpy of Vaporization: 33.2 kJ/mol; (18)Vapour Pressure: 31.55 mmHg at 25°C; (19)Exact Mass: 97.032777; (20)MonoIsotopic Mass: 97.032777; (21)Topological Polar Surface Area: 12.9; (22)Heavy Atom Count: 7; (23)Complexity: 56.
Preparation of 3-Fluoropyridine: It can be obtained by pyridin-3-ylamine. This reaction needs reagents aqueous sodium nitrite solution, copper-powder and aqueous hydrofluoric acid.
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Uses of 3-Fluoropyridine: It is used as intermediate of medicine and pesticide. It also can react with indole to get 1-pyridin-3-yl-indole. This reaction needs solvent dimethylformamide at temperature of 95-100 °C. The reaction time is 4.0 hours. The yield is 12%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. What's more, it is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:c1cc(cnc1)F
2. InChI:InChI=1/C5H4FN/c6-5-2-1-3-7-4-5/h1-4H
3. InChIKey:CELKOWQJPVJKIL-UHFFFAOYAH