ChemicalBook--->CAS DataBase List--->2247-88-3

2247-88-3

2247-88-3 Structure

2247-88-3 Structure
IdentificationMore
[Name]

4-Amino-3-fluoropyridine
[CAS]

2247-88-3
[Synonyms]

3-FLUORO-4-AMINOPYRIDINE
4-AMINO-3-FLUOROPYRIDINE
3-FLUOROPYRIDIN-4-AMINE
4-AMINO-3-FLUOROPYRINE
4-Amino-3-fluoropyridine 
fluoropyridin-4-amine
3-Fluoro-4-pyridinamine
4-Amino-3-fluoropyridine ,98%
[Molecular Formula]

C5H5FN2
[MDL Number]

MFCD00234072
[Molecular Weight]

112.11
[MOL File]

2247-88-3.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow to light yellow crystals
[Melting point ]

71-79 °C
[Boiling point ]

217.1±20.0 °C(Predicted)
[density ]

1.257±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

7.19±0.12(Predicted)
[color ]

White to Light yellow to Light orange
[Detection Methods]

HPLC
[InChI]

InChI=1S/C5H5FN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
[InChIKey]

UFIKBUVVVGSMGW-UHFFFAOYSA-N
[SMILES]

C1=NC=CC(N)=C1F
[CAS DataBase Reference]

2247-88-3(CAS DataBase Reference)
Questions And AnswerBack Directory
[Preparation]

In a 250 ml reaction flask, add 50 ml of water and 5.4 g of sodium hydroxide. Cool the reaction mixture to 0–5 °C. Add 4.7 g of liquid bromine dropwise to the reaction mixture. After the addition is complete, stir at 0–5 °C for 2 hours. Add 5.0 g of 3-fluoro-4-pyridinecarboxamide to the reaction flask. Stir at 0–5 °C for 2 hours until the solid is completely dissolved. Heat the reaction mixture to 85 °C. Maintain the reaction at 85 °C for 6 hours. Cool the reaction mixture to room temperature. Add 50 ml of ethyl acetate to the reaction flask to extract the product. Separate the organic layer and extract the aqueous layer twice with ethyl acetate. Combine the organic layers. 3.0 g of the pale brownish-red solid powder product, 4-amino-3-fluoropyridine, was obtained by drying and evaporating the solvent, with a yield of 81% and a purity of 96%.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319
[Precautionary statements ]

P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

nwg
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Acetic acid-->Nitric acid-->Chloroform-->Ammonia-->Hydrogen peroxide-->Ferrous sulfate heptahydrate-->3-Fluoropyridine-->3-FLUOROPYRIDINE N-OXIDE-->3-FLUORO-4-NITROPYRIDINE-N-OXIDE-->3-BROMO-4-NITROPYRIDINE N-OXIDE
[Preparation Products]

3-FLUORO-4-HYDROXYPYRIDINE-->tert-Butyl 3-fluoropyridin-4-ylcarbamate
Hazard InformationBack Directory
[Chemical Properties]

Yellow to light yellow crystals
[Uses]

4-Amino-3-fluoropyridine is an important intermediate in the synthesis of many new drugs, and it is an intermediate in the synthesis of transforming growth factor-β inhibitors and thrombin inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Amino-3-fluoropyridine(2247-88-3)1HNMR
4-Amino-3-fluoropyridine(2247-88-3)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2247-88-3(sigmaaldrich)
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