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Benzenesulfonic acid hydrate (1:1)(CAS: 26158-00-9)

Benzenesulfonic acid hydrate (1:1)
CAS Number

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Basic Information

Molecular Formula
C6H8O4S
Molecular Weight
176.19 g/mol

Physical Properties

Melting Point
42-49 °C (lit.)
Flash Point
53 °C
Water Solubility
transparency

Chemical Identifiers

SMILES
C1=CC=C(C=C1)S(=O)(=O)O.O
InChIKey
MVIOINXPSFUJEN-UHFFFAOYSA-N

Database References

MDL Number
MFCD00011689
Beilstein Registry Number
4552655

FAQ

Benzenesulfonic acid hydrate (1:1) is a crystalline solid with a molecular weight of approximately 176.14 g/mol. It has a pKa of about 2.9 and is slightly soluble in water. The compound is reactive towards nucleophiles and can act as an acid in aqueous solutions. It melts at around 165°C and is stable under normal conditions.
Benzenesulfonic acid hydrate (1:1) is typically synthesized by sulfonation of benzene and subsequent hydration. The sulfonation step is catalyzed by concentrated sulfuric acid, and the hydration can be achieved using water or other solvents under various conditions. The process requires careful control of temperature and concentration to achieve high yield and selectivity.
Benzenesulfonic acid hydrate (1:1) is used in pharmaceuticals, primarily as a raw material for synthesizing drug intermediates. It is also utilized in the production of polymers, especially for modifying the properties of synthetic resins and fibers. Additionally, it finds applications in the development of sensors and semiconductors due to its acidic nature and reactivity.
When handling Benzenesulfonic acid hydrate (1:1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Use a fume hood during preparation and storage to minimize exposure to vapors. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of spill, use appropriate cleanup materials and consult the Safety Data Sheet (SDS) for detailed instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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