Description

4-Chlorophenyl 4-methylbenzenesulfonate (CAS: 599-89-3) is a high-purity sulfonate ester compound with the molecular formula C₁₃H₁₁ClO₃S. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science applications. Its unique structure, featuring a chlorophenyl group and a toluenesulfonate moiety, makes it a valuable intermediate for constructing complex molecules. Our product is rigorously tested to ensure >98% purity (HPLC) and is supplied as a white to off-white crystalline powder with excellent batch-to-batch consistency. Proper storage at 2-8°C in a tightly sealed container ensures long-term stability. This compound is particularly useful for nucleophilic substitution reactions and as a protecting group reagent in multi-step syntheses.

Properties

• CAS Number: 599-89-3
• Complexity: 347
• IUPAC Name: (4-chlorophenyl) 4-methylbenzenesulfonate
• InChI: InChI=1S/C13H11ClO3S/c1-10-2-8-13(9-3-10)18(15,16)17-12-6-4-11(14)5-7-12/h2-9H,1H3
• InChI Key: PPRVVAPBLOBOSE-UHFFFAOYSA-N
• Exact Mass: 282.0117431
• Molecular Formula: C13H11ClO3S
• Molecular Weight: 282.74
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl
• Topological: 51.8
• Monoisotopic Mass: 282.0117431
• Synonyms: 4-chlorophenyl 4-methylbenzenesulfonate, 599-89-3, (4-chlorophenyl) 4-methylbenzenesulfonate, 4-Chlorophenyl p-toluenesulfonate, NSC6174, 4-chlorophenyl 4-methylbenzene-1-sulfonate, SCHEMBL9870770, p-Chlorophenyl-p-toluenesulfonate, 4-chlorophenyl 4-toluenesulfonate, DTXSID30278119, NSC-6174, AKOS001044826, EN300-7351097, AE-848/33607029, Z45513535

This compound serves as a versatile building block in organic synthesis, particularly for introducing the 4-chlorophenyl group into target molecules. Researchers employ it in pharmaceutical intermediate synthesis and as a precursor for specialty chemicals. The sulfonate ester functionality makes it valuable for nucleophilic aromatic substitution reactions. It’s also used in material science for modifying polymer properties and in agrochemical research.

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