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Benzenesulfonic acid, 2,5-dimethyl-(CAS: 609-54-1)

Benzenesulfonic acid, 2,5-dimethyl-
CAS Number

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Basic Information

Molecular Formula
C8H10O3S
Molecular Weight
186.23 g/mol

Physical Properties

Melting Point
84.0 to 88.0 deg-C
Boiling Point
531.5°C at 760 mmHg
Density
1.3286 (rough estimate)
Flash Point
275.2°C

Chemical Identifiers

SMILES
CC1=CC(=C(C=C1)C)S(=O)(=O)O
InChIKey
IRLYGRLEBKCYPY-UHFFFAOYSA-N

Database References

MDL Number
MFCD00064858

FAQ

Benzenesulfonic acid, 2,5-dimethyl- (CAS: 609-54-1) is a crystalline solid with a molecular weight of approximately 186.22 g/mol. It has a pKa of about 2.8 and is moderately soluble in water (17.6 g/100 mL at 20°C). The compound is reactive towards nucleophiles and can undergo sulfonation reactions. It is also known for its ability to form salts with bases, which can affect its solubility and reactivity.
Benzenesulfonic acid, 2,5-dimethyl- (CAS: 609-54-1) can be synthesized from 2,5-dimethylbenzyl alcohol by sulfonation. Commonly, this involves treating the alcohol with sulfur trioxide in the presence of a catalyst like concentrated sulfuric acid. The process typically yields a mixture of ortho, meta, and para isomers, with the 2,5-dimethyl isomer being the predominant product.
Benzenesulfonic acid, 2,5-dimethyl- (CAS: 609-54-1) is primarily used in the pharmaceutical industry for the synthesis of drugs, particularly those requiring sulfonic acid functional groups. It also has applications in the polymer industry for the production of plasticizers and surfactants. Additionally, it is used in the sensor and semiconductor industries for the modification of electronic and catalytic properties.
When handling benzenesulfonic acid, 2,5-dimethyl- (CAS: 609-54-1), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be handled in a well-ventilated area or fume hood. Spills should be cleaned up carefully using appropriate absorbents, and the area should be flushed with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.

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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