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Pyridinium,1-fluoro-4-methyl-2-sulfo-, inner salt

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Name

Pyridinium,1-fluoro-4-methyl-2-sulfo-, inner salt

EINECS N/A
CAS No. 147540-88-3 Density N/A
PSA 69.46000 LogP 1.00000
Solubility N/A Melting Point 203-208 °C (dec.)
Formula C6H6FNO3S Boiling Point N/A
Molecular Weight 191.18 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 147540-88-3 (N-FLUORO-4-METHYLPYRIDINIUM-2-SULFONATE) Hazard Symbols IrritantXi
Synonyms

1-Fluoro-4-methylpyridinium-2-sulfonate;

Article Data 2

Pyridinium,1-fluoro-4-methyl-2-sulfo-, inner salt Specification

The Pyridinium, 1-fluoro-4-methyl-2-sulfo-, inner salt, with the CAS registry number 147540-88-3, is also known as N-Fluoro-4-methylpyridinium-2-sulfonate. This chemical's molecular formula is C6H6FNO3S and molecular weight is 191.18. What's more, its systematic name is 1-Fluoro-4-methylpyridinium-2-sulfonate. In addition, physical properties about this chemical are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 66.63 Å2.

Preparation of Pyridinium, 1-fluoro-4-methyl-2-sulfo-, inner salt: this chemical is prepared by 4-Methyl-pyridine-2-sulfonic acid. This reaction needs reagents Et3N and F2. Meanwhile, it needs solvent Acetonitrile. The reaction temperature is -20 °C. The yield is about 91 %.

The Pyridinium, 1-fluoro-4-methyl-2-sulfo-, inner salt can be obtained by 4-Methyl-pyridine-2-sulfonic acid.

Uses of Pyridinium, 1-fluoro-4-methyl-2-sulfo-, inner salt: it is used to produce other chemicals. For example, it is used to produce N-(trans-3'-Fluoro-2', 3', 4', 5'-tetrahydro-2'-furanyl)-4-methylpyridinium-2-sulfonate by heating. The reaction needs solvent CH2Cl2. The reaction time is 8 hours. The yield is about 59 %.

Pyridinium, 1-fluoro-4-methyl-2-sulfo-, inner salt can react with 2, 3-Dihydro-furan to get N-(trans-3'-Fluoro-2', 3', 4', 5'-tetrahydro-2'-furanyl)-4-methylpyridinium-2-sulfonate.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S([O-])(=O)c1[n+](F)ccc(c1)C
(2) InChI: InChI=1/C6H6FNO3S/c1-5-2-3-8(7)6(4-5)12(9,10)11/h2-4H,1H3
(3) InChIKey: CZLMNRIAOUVXNU-UHFFFAOYAC

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