SODIUM 4-TOLUENESULFINATE HYDRATE

Basic Information

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CAS Number

7257-26-3

Molecular Formula

C7H7O2S-

Molecular Weight

155.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CC1=CC=C(C=C1)S(=O)[O-].O.O.[Na+]

InChI

InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9)/p-1

InChIKey

FXJVNINSOKCNJP-UHFFFAOYSA-M

LogP

1.23302

Topological Polar Surface Area

40.129999999999995 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

132

Synonyms & References

English

sodium p-toluensulfinate dihydrate
WBGHAVFTFDQINN-UHFFFAOYSA-M
Sodium toluene-4-sulfinate dihydrate
sodium p-toluenesulfinate dihydrate
MFCD00149642
Sodium toluene-4-sulphinate dihydrate
Sodiumtoluene-4-sulphinatedihydrate
AS-10554
7257-26-3
DTXSID60635534
sodium;4-methylbenzenesulfinate;dihydrate
Sodium 4-methylbenzene-1-sulfinate--water (1/1/2)
p-Toluene sulfinic acid sodium salt dihydrate
sodium 4-toluenesulfinate hydrate
LogP
SODIUM 4-TOLUENESULFINATE HYDRATE CH3C6H4SO2NAXH2O F.W. 178.19 M.P. 300°
sodium,4-methylbenzenesulfinate,dihydrate

MDL Number

MFCD00149642

FAQ

What are the physical and chemical properties of Sodium 4-toluenesulfinate hydrate (CAS: 7257-26-3)?

Sodium 4-toluenesulfinate hydrate (CAS: 7257-26-3) is a white crystalline powder. It has a molecular weight of approximately 222.24 g/mol and a melting point of 220-222°C. It is highly soluble in water and has moderate solubility in ethanol. The compound is stable under normal conditions but may react with strong acids to form sulfonic acids. It is a valuable reagent in organic synthesis and pharmaceutical applications.

How is Sodium 4-toluenesulfinate hydrate (CAS: 7257-26-3) typically synthesized?

Sodium 4-toluenesulfinate hydrate (CAS: 7257-26-3) is typically synthesized by adding sodium hydroxide to a solution of toluene-2-sulfonyl chloride in water. The reaction proceeds under basic conditions to form the sodium salt. This method provides good yields and selectivity, making it a common route for industrial production. Common catalysts are not required, but care must be taken to avoid using strong acids as they can hydrolyze the compound.

What industries use Sodium 4-toluenesulfinate hydrate (CAS: 7257-26-3)?

Sodium 4-toluenesulfinate hydrate (CAS: 7257-26-3) is widely used in the pharmaceutical industry for the synthesis of various drugs, particularly those involving sulfonation reactions. It is also utilized in the polymer industry for modifying the properties of polymers, in the sensor industry for sensing systems, and in the semiconductor industry for etching processes. Its versatility in different applications makes it a valuable reagent in multiple sectors.

What precautions should be taken when handling Sodium 4-toluenesulfinate hydrate (CAS: 7257-26-3)?

When handling Sodium 4-toluenesulfinate hydrate (CAS: 7257-26-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and affected areas should be rinsed with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.