Cas no 5184-71-4 (1-Chloro-4-(4-Methylbenzene)SulfonylBenzene)

1-Chloro-4-(4-Methylbenzene)SulfonylBenzene is a sulfonyl-substituted aromatic compound characterized by its chloro and methylbenzene functional groups. This chemical is primarily utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty materials. Its sulfonyl moiety enhances reactivity in substitution and coupling reactions, while the chloro group provides a versatile site for further functionalization. The compound exhibits stability under standard conditions, ensuring consistent performance in synthetic applications. Its well-defined structure and purity make it suitable for precise chemical transformations, contributing to its utility in research and industrial processes. Proper handling and storage are recommended due to its potential reactivity.
1-Chloro-4-(4-Methylbenzene)SulfonylBenzene structure
5184-71-4 structure
Product Name:1-Chloro-4-(4-Methylbenzene)SulfonylBenzene
CAS No:5184-71-4
MF:C13H11ClO2S
MW:266.743241548538
CID:935979
PubChem ID:286219
Update Time:2025-06-09

1-Chloro-4-(4-Methylbenzene)SulfonylBenzene Chemical and Physical Properties

Names and Identifiers

    • 1-chloro-4-[(4-methylphenyl)sulfonyl]benzene
    • 4-Methyl-4'-chlorodiphenylsulfone
    • 1-(4-chlorophenyl)sulfonyl-4-methylbenzene
    • AKOS000521844
    • NSC-144077
    • 1-CHLORO-4-(4-METHYLBENZENESULFONYL)BENZENE
    • 1-Chloro-4-(4-methylbenzene-1-sulfonyl)benzene
    • DTXSID80301542
    • 1-[(4-chlorophenyl)sulfonyl]-4-methylbenzene
    • SCHEMBL811061
    • 1-chloro-4-(4-methylphenyl)sulfonyl-benzene
    • 4-chlorophenyl p-tolyl sulfone
    • Oprea1_357183
    • NSC144077
    • Oprea1_192545
    • Diphenylsulfone, 4-chloro-4'-methyl-
    • 1-Chloro-4-[(4-methylphenyl)sulfonyl]benzene #
    • 5184-71-4
    • AH-034/01375014
    • 1-Chloro-4-(4-Methylbenzene)SulfonylBenzene
    • Inchi: 1S/C13H11ClO2S/c1-10-2-6-12(7-3-10)17(15,16)13-8-4-11(14)5-9-13/h2-9H,1H3
    • InChI Key: OFGLBHMUHZRKFN-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)S(C1C=CC(C)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 266.01693
  • Monoisotopic Mass: 266.017
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 331
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • Density: 1.294
  • Boiling Point: 411.1°C at 760 mmHg
  • Flash Point: 202.4°C
  • Refractive Index: 1.592
  • PSA: 34.14

1-Chloro-4-(4-Methylbenzene)SulfonylBenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
C386993-500mg
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500mg
$ 70.00 2022-06-06
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Additional information on 1-Chloro-4-(4-Methylbenzene)SulfonylBenzene

Professional Introduction to 1-Chloro-4-(4-Methylbenzene)SulfonylBenzene (CAS No. 5184-71-4)

1-Chloro-4-(4-Methylbenzene)SulfonylBenzene, with the chemical formula C14H11ClO2S, is a significant compound in the field of organic chemistry and pharmaceutical research. This compound, identified by its CAS number 5184-71-4, has garnered attention due to its versatile applications in synthesis and its potential role in developing novel therapeutic agents. The presence of both chloro and sulfonyl functional groups makes it a valuable intermediate in medicinal chemistry, enabling further derivatization into more complex molecules.

The structure of 1-Chloro-4-(4-Methylbenzene)SulfonylBenzene features a benzene ring substituted with a chloro group at the first position and a sulfonyl group linked to a 4-methylbenzene moiety at the fourth position. This arrangement imparts unique reactivity, making it a useful building block for constructing heterocyclic compounds and other pharmacophores. The sulfonyl group is particularly noteworthy, as it is frequently employed in drug design due to its ability to enhance binding affinity and metabolic stability.

In recent years, there has been growing interest in the synthetic utility of 1-Chloro-4-(4-Methylbenzene)SulfonylBenzene. Researchers have leveraged its reactivity to develop novel synthetic pathways for various biologically active compounds. For instance, the compound has been utilized in the preparation of sulfonamide derivatives, which are known for their antimicrobial and anti-inflammatory properties. The chloro substituent further enhances its synthetic value, allowing for nucleophilic aromatic substitution reactions that yield diverse scaffolds.

One of the most compelling aspects of 1-Chloro-4-(4-Methylbenzene)SulfonylBenzene is its potential application in neurological disorder research. Recent studies have suggested that sulfonyl-containing compounds may interact with specific neurotransmitter receptors, offering a promising avenue for developing treatments for conditions such as Alzheimer's disease and Parkinson's disease. The methyl group on the aromatic ring may also contribute to modulating the pharmacokinetic properties of derived compounds, influencing their bioavailability and efficacy.

The pharmaceutical industry has taken note of the versatility of 1-Chloro-4-(4-Methylbenzene)SulfonylBenzene. Several academic and industrial groups have reported novel derivatives synthesized from this compound that exhibit significant biological activity. For example, modifications involving the sulfonyl group have led to compounds with enhanced binding affinity to target proteins, while alterations around the aromatic core have improved solubility and cell permeability. These findings underscore the importance of this compound as a starting material for drug discovery programs.

From a chemical synthesis perspective, 1-Chloro-4-(4-Methylbenzene)SulfonylBenzene serves as an excellent precursor for introducing complex functional groups into organic molecules. Its stability under various reaction conditions allows for multiple synthetic transformations without degradation, making it a reliable choice for multi-step syntheses. Additionally, the compound's compatibility with both classical organic reactions and modern catalytic methods ensures broad applicability across different research domains.

The future prospects of 1-Chloro-4-(4-Methylbenzene)SulfonylBenzene in pharmaceutical development are vast. As research continues to uncover new biological targets and mechanisms, this compound is likely to play an increasingly important role in generating novel therapeutic agents. Its unique structural features provide a rich foundation for designing molecules with tailored properties, addressing unmet medical needs across various therapeutic areas.

In conclusion, 1-Chloro-4-(4-Methylbenzene)SulfonylBenzene (CAS No. 5184-71-4) is a multifaceted compound with significant potential in organic synthesis and pharmaceutical research. Its structural attributes, combined with its reactivity and synthetic utility, make it an invaluable asset for chemists and biologists alike. As advancements in drug discovery continue to evolve, this compound is poised to remain at the forefront of innovation in medicinal chemistry.

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