2-Fluoro-1-methylpyridinium 4-methylbenzenesulfonate

Basic Information

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CAS Number

58086-67-2

Molecular Formula

C13H14FNO3S

Molecular Weight

283.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

130-134 °C

Water Solubility

Soluble in water (hydrolyzes), DMSO, dichloromethane, and acetonitrile.

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1F

InChI

InChI=1S/C7H8O3S.C6H7FN/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5H,1H3/q;+1/p-1

InChIKey

HQWDKLAIDBOLFE-UHFFFAOYSA-M

LogP

2.63010

Complexity

268

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

58086-67-2
2-fluoro-1-methylpyridin-1-ium;4-methylbenzenesulfonate
F0225
A831729
2-Fluoro-1-methylpyridinium p-Toluenesulphonate (Technical Grade)
DTXSID00206808
2-Fluoro-1-methylpyridinium p-toluenesulfonate, <5% 2-hydroxy-1-methylpyridinium p-toluenesulfonate, technical grade, >=90%
2-Fluoro-1-methylpyridinium p-toluenesulfonate
2-Fluoro-1-methylpyridinium tosylate
2-fluoro-1-methylpyridinium toluene-4-sulfonate
2-Fluoro-1-methylpyridinium p-toluenesulphonate
2-Fluoro-1-methylpyridinium p-toluenesulfonate, technical grade, >=90%
EINECS 261-108-3
2-fluoro-n-methylpyridiniumtoluene-4-sulphonate
2-Fluoro-1-methylpyridinium
2-Fluoro-1-methylpyridin-1-ium 4-methylbenzenesulfonate
2-Fluoro-1-methylpyridinium 4-methylbenzenesulphonate
2-Fluoro-1-methylpyridin-1-ium4-methylbenzenesulfonate
SCHEMBL103421
MFCD00011983
2-fluoro-1-methylpyridin-1-ium 4-methylbenzene-1-sulfonate
2-FLUORO-1-METHYLPYRIDINIUM 4-METHYLBENZENESULFONATE
AS-11371
2-Fluoro-1-methylpyridinium p-toluenesulfonate, technical, >=90% (F)
AKOS015917523
J-509354
HQWDKLAIDBOLFE-UHFFFAOYSA-M
FT-0612303
NS00086442
2-Fluoro-1-methylpyridinium toluene-p-sulphonate
2-Fluoro-1-methylpyridinium p-Toluenesulfonate [Fluorinating Reagent]

MDL Number

MFCD00011983

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Fluoro-1-methylpyridinium 4-methylbenzenesulfonate (CAS: 58086-67-2)?

2-Fluoro-1-methylpyridinium 4-methylbenzenesulfonate (CAS: 58086-67-2) is a crystalline compound with a molecular weight of approximately 314.21 g/mol. It has a high solubility in polar solvents, particularly in water and alcohols. Reactivity-wise, it is moderately stable under normal conditions but can undergo substitution reactions under certain conditions. It is commonly used as a precursor in various chemical synthesis processes.

How is 2-Fluoro-1-methylpyridinium 4-methylbenzenesulfonate (CAS: 58086-67-2) typically synthesized?

2-Fluoro-1-methylpyridinium 4-methylbenzenesulfonate is typically synthesized through the sulfonation of 2-fluoro-1-methylpyridinium chloride with methylbenzenesulfonyl chloride in the presence of a catalytic amount of a strong acid such as concentrated sulfuric acid. The yield is generally high, and the reaction is completed in a short time under mild conditions.

What industries use 2-Fluoro-1-methylpyridinium 4-methylbenzenesulfonate (CAS: 58086-67-2)?

2-Fluoro-1-methylpyridinium 4-methylbenzenesulfonate (CAS: 58086-67-2) is primarily used in the pharmaceutical industry for the synthesis of various compounds. It is also utilized in the polymer industry for the functionalization of polymer chains. Additionally, it plays a role in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Fluoro-1-methylpyridinium 4-methylbenzenesulfonate (CAS: 58086-67-2)?

When handling 2-Fluoro-1-methylpyridinium 4-methylbenzenesulfonate (CAS: 58086-67-2), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure to the environment and ensure safety. Proper spill handling procedures should be followed, and an SDS (Safety Data Sheet) should be readily available for reference. Storage should be in a cool, dry place away from direct sunlight and incompatible materials.