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403-45-2

403-45-2 Structure

403-45-2 Structure
IdentificationMore
[Name]

6-Fluoronicotinic acid
[CAS]

403-45-2
[Synonyms]

2-FLUORO-5-PYRIDINE CARBOXYLIC ACID
2-Fluoro-5-pyridine carboxylic acid(6-Fluoronicotinic acid)
2-FLUOROPYRIDINE-5-CARBOXYLIC ACID
6-FLUORO-3-PYRIDINECARBOXYLIC ACID
6-FLUORONICOTINIC ACID
6-FLUOROPYRIDINE-3-CARBOXYLIC ACID
6-FLUOROPYRIDINE-3-FORMIC ACID
6-Fluoronicotinic acid 98%
6-Fluoronicotinicacid98%
3-Pyridinecarboxylic acid,6-fluoro-
[EINECS(EC#)]

251-228-4
[Molecular Formula]

C6H4FNO2
[MDL Number]

MFCD01859863
[Molecular Weight]

141.1
[MOL File]

403-45-2.mol
Chemical PropertiesBack Directory
[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
[Detection Methods]

HPLC
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29333990
Raw materials And Preparation ProductsBack Directory
[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
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

It is used as a pharmaceutical intermediate.
[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."
Spectrum DetailBack Directory
[Spectrum Detail]

6-Fluoronicotinic acid(403-45-2)1HNMR
6-Fluoronicotinic acid(403-45-2)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

403-45-2(sigmaaldrich)
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