| Identification | More | [Name]
5-Fluoronicotinic acid | [CAS]
402-66-4 | [Synonyms]
5-FLUORONICOTINIC ACID
5-FLUOROPYRIDINE-3-CARBOXYLIC ACID
AURORA KA-3033
5-fluoro-3-pyridinecarboxylicaci
5-fluoro-3-pyridinecarboxylicacid
5-Fluoropyridine-3-carboxylicacid98%
5-Fluoronicotinic acid ,97% | [EINECS(EC#)]
674-996-6 | [Molecular Formula]
C6H4FNO2 | [MDL Number]
MFCD01318537 | [Molecular Weight]
141.1 | [MOL File]
402-66-4.mol |
| Questions And Answer | Back Directory | [Synthesis]
In a 1 L round-bottom flask equipped with a magnetic stir bar and 5.00 g (23.8 mmol) of 2,6-dichloro-5-fluoronicotinic acid, methanol (240 mL) and N,N-diisopropylethylamine (8.30 mL (48.0 mmol)) were added. 500 mg of palladium on carbon (10 wt%) was carefully added to the solution. The resulting reaction mixture was purged with hydrogen and placed in an atmosphere of H2 (1 atm) using a balloon. The reaction mixture was stirred at ambient temperature for 12 hours, then filtered through diatomaceous earth. The filtrate was concentrated under vacuum to approximately 25 mL and diluted with approximately 250 mL of Et2O. The resulting precipitate (DIPEA/HCl salt) was filtered through a Buchner funnel, and the filtrate was concentrated under vacuum to give 3.2 g (98%) of a yellow oily 5-fluoronicotinic acid.  Figure 5. Synthetic route of fluoronicotinic acid |
| Chemical Properties | Back Directory | [Melting point ]
193-198℃ | [Boiling point ]
272.2±20.0 °C(Predicted) | [density ]
1.419±0.06 g/cm3(Predicted) | [RTECS ]
US5745250 | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Soluble in methanol. | [form ]
Powder | [pka]
3.13±0.10(Predicted) | [color ]
Off-white | [Detection Methods]
HPLC,NMR,MS | [InChI]
InChI=1S/C6H4FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10) | [InChIKey]
BXZSBDDOYIWMGC-UHFFFAOYSA-N | [SMILES]
C1=NC=C(F)C=C1C(O)=O | [CAS DataBase Reference]
402-66-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
5-Fluoronicotinic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|