1-Methyl-4-(methylsulfonyl)-2-nitrobenzene(CAS: 1671-49-4)

CAS Number
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Basic Information
Molecular Formula
C8H9NO4S
Molecular Weight
215.23 g/mol
Physical Properties
Melting Point
120-121 ºC
Boiling Point
387.8 ℃ at 760 mmHg
Chemical Identifiers
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]
InChIKey
OXBDLEXAVKAJFD-UHFFFAOYSA-N
Database References
MDL Number
MFCD00047808
FAQ
1-Methyl-4-(methylsulfonyl)-2-nitrobenzene is a crystalline solid with a molecular weight of approximately 249.24 g/mol. It has a solubility of about 1.2 g/L in water. This compound is moderately reactive, particularly with reducing agents. It is an excellent precursor in certain organic synthesis reactions due to its functional groups.
1-Methyl-4-(methylsulfonyl)-2-nitrobenzene is synthesized via a multi-step process involving nitration of methyl 4-(methylsulfonyl)benzoate followed by reduction of the nitrile group. Commonly, this involves using nitric acid and sulfuric acid as reagents, with careful control over temperature and pH to achieve the desired yield and selectivity.
1-Methyl-4-(methylsulfonyl)-2-nitrobenzene is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also utilized in the production of organic dyes and pigments, as well as in the development of sensors and semiconductor materials.
When handling 1-Methyl-4-(methylsulfonyl)-2-nitrobenzene, it is crucial to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with caution, using appropriate absorbent materials and following standard laboratory safety protocols. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.
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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