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CAS 78726-75-7

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3-Methyl-4-nitrobenzenesulfonyl chloride

Description:
3-Methyl-4-nitrobenzenesulfonyl chloride, with the CAS number 78726-75-7, is an organic compound characterized by the presence of a sulfonyl chloride functional group attached to a benzene ring that also features a methyl group and a nitro group. This compound typically appears as a yellow to brown solid and is known for its reactivity, particularly due to the sulfonyl chloride moiety, which can readily participate in nucleophilic substitution reactions. It is often used as a reagent in organic synthesis, particularly in the preparation of sulfonamides and other sulfonyl derivatives. The presence of the nitro group enhances its electrophilic character, making it useful in various chemical transformations. Additionally, 3-Methyl-4-nitrobenzenesulfonyl chloride is sensitive to moisture and should be handled with care, as it can release toxic gases upon hydrolysis. Proper safety precautions, including the use of personal protective equipment, are essential when working with this compound in a laboratory setting.
Formula:C7H6ClNO4S
InChI:InChI=1S/C7H6ClNO4S/c1-5-4-6(14(8,12)13)2-3-7(5)9(10)11/h2-4H,1H3
InChI key:InChIKey=BSTFFQWSGXDOOL-UHFFFAOYSA-N
SMILES:S(Cl)(=O)(=O)C1=CC(C)=C(N(=O)=O)C=C1
Synonyms:
  • 3-Methyl-4-nitrobenzenesulfonyl chloride
  • Benzenesulfonyl chloride, 3-methyl-4-nitro-
  • m-Toluenesulfonyl chloride, 4-nitro-
  • 3-Methyl-4-nitrobenzene-1-sulfonyl chloride
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