6-Fluoronicotinic acid CAS 403-45-2

Introduction：Basic information about 6-Fluoronicotinic acid CAS 403-45-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

6-Fluoronicotinic acid Basic information

• Product Name: 6-Fluoronicotinic acid
• Synonyms: 2-Fluoropyridine-5-carboxylic acid, 6-Fluoropyridine-3-carboxylic acid, 5-Carboxy-2-fluoropyridine, 3-Carboxy-6-fluoropyridine;6-Floronicotinic acid;6-Fluoronicotinc Acid;2-Fluoropyridine-5-carboxylic acid, 6-Fluoropyridine-3-carboxylic acid, 5-Carboxy-2-fluoropyridine;2-FLUOROPYRIDINE-5-CARBOXYLIC ACID;2-FLUORO-5-PYRIDINE CARBOXYLIC ACID;2-Fluoro-5-pyridine carboxylic acid(6-Fluoronicotinic acid);6-FLUORONICOTINIC ACID
• CAS: 403-45-2
• MF: C6H4FNO2
• MW: 141.1
• EINECS: 251-228-4
• Product Categories: C6;Chemical Synthesis;Fluorinated Building Blocks;Heterocyclic Building Blocks;Heterocyclic Fluorinated Building Blocks;Other Fluorinated Heterocycles;Pyridine;Pyridine series;Pyridines;Building Blocks;Carboxy;Boronic Acid;Picolinic acid series;API
• Mol File: 403-45-2.mol

6-Fluoronicotinic acid Chemical Properties

• Melting point: 144-148 °C(lit.)
• Boiling point: 309.4±22.0 °C(Predicted)
• density: 1.419±0.06 g/cm3(Predicted)
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• form: powder to crystal
• pka: 3.41±0.10(Predicted)
• color: White to Orange to Green
• InChI: InChI=1S/C6H4FNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
• InChIKey: UJDLCTNVHJEBDG-UHFFFAOYSA-N
• SMILES: C1=NC(F)=CC=C1C(O)=O
• CAS DataBase Reference: 403-45-2(CAS DataBase Reference)

Safety Information

• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29333990
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

6-Fluoronicotinic acid Usage And Synthesis

Chemical Properties

White to Orange to Green powder to crystal.

Uses

6-Fluoronicotinic acid is a fluorinated nicotinic acid that is a derivative of pyridine, with a carboxylic acid at 3-position and a fluorine at 6-position. It is used as a pharmaceutical intermediate and a molecular scaffold to synthesize tracers for positron emission tomography, for visualizing and measuring changes in metabolic processes.

References

[1] LATIFA RBAH-VIDAL. Early detection and longitudinal monitoring of experimental primary and disseminated melanoma using [¹⁰F]ICF01006, a highly promising melanoma PET tracer.[J]. European Journal of Nuclear Medicine and Molecular Imaging, 2012, 39 9: 1449-1461. DOI:10.1007/s00259-012-2168-y.
[2] FALGUNI BASULI. Fast indirect fluorine-18 labeling of protein/peptide using the useful 6-fluoronicotinic acid-2,3,5,6-tetrafluorophenyl prosthetic group: A method comparable to direct fluorination.[J]. Journal of labelled compounds & radiopharmaceuticals, 2017, 60 3 1: 168-175. DOI:10.1002/jlcr.3487.
[3] G. F. HAWKINS ARTHUR R. THE PREPARATION OF 5-FLUORONICOTINIC ACID AND 5-FLUORONICOTINAMIDE1[J]. The Journal of Organic Chemistry, 1949, 14 2: 328-332. DOI:10.1021/jo01154a021.
[4] Lal, Achchhe, and Devendra Kumar Singh. "Theoretical and Experimental Studies of Vibrational Spectra of 6-fluoronicotinc Acid."

6-Fluoronicotinic acid Preparation Products And Raw materials

• Raw materials: Sodium nitrite-->Potassium permanganate-->Fluoroboric acid-->2-Amino-5-methylpyridine-->2-Fluoro-5-iodopyridine-->2-Fluoro-5-methylpyridine-->3-Pyridinecarbonyl chloride, 6-fluoro- (9CI)-->Nicotinic acid
• Preparation Products: 3-Pyridinecarboxylic acid, 6-fluoro-, 1,1-diMethylethyl ester-->5-Bromo-2-fluoropyridine