| Identification | More | [Name]
3-Fluoropyridine-4-carboxylic acid | [CAS]
393-53-3 | [Synonyms]
3-FLUORO-4-PYRIDINECARBOXYLIC ACID
3-FLUOROISONICOTINIC ACID
3-FLUOROPYRIDINE-4-CARBOXYLIC ACID
3-Fluoropyridine-4-carboxylic acid mono hydrate
3-Fluoroisonicotinic
3-FLUORONICOTINIC ACID
3-FLUOROISONICOTINIC ACID MONO HYDRATE | [EINECS(EC#)]
639-266-3 | [Molecular Formula]
C6H4FNO2 | [MDL Number]
MFCD03789251 | [Molecular Weight]
141.1 | [MOL File]
393-53-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
251-254°C (dec.) | [Boiling point ]
360.0±22.0 °C(Predicted) | [density ]
1.419±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
solid | [pka]
2.85±0.10(Predicted) | [color ]
White to off-white | [BRN ]
383678 | [InChI]
1S/C6H4FNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10) | [InChIKey]
POLXLLIQWDBJMD-UHFFFAOYSA-N | [SMILES]
OC(=O)c1ccncc1F | [CAS DataBase Reference]
393-53-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,F | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R10:Flammable. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S16:Keep away from sources of ignition-No smoking . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2933399990 | [Storage Class]
13 - Non Combustible Solids |
| Hazard Information | Back Directory | [Synthesis]
3-Fluoropyridine (25 g, 257 mmol) was slowly added dropwise to a solution of tetrahydrofuran (600 mL) containing butyl lithium (270 mmol) and diisopropylamine (27.4 g, 271 mmol) at -78 °C. The reaction mixture was stirred continuously at this temperature for 1 hour. Subsequently, crushed dry ice was added to the reaction system and gradually warmed to room temperature over 1 hour. Upon completion of the reaction, the pH of the reaction solution was adjusted to 5 with an aqueous solution of hydrogen chloride and acidified. The resulting precipitate was collected by filtration and dried. The final 3-fluoroisonicotinic acid (25.2 g, 179 mmol, 70% yield) was obtained as colorless crystals. | [References]
[1] Patent: WO2006/36015, 2006, A2. Location in patent: Page/Page column 121-122 |
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