Cas no 1133-17-1 (4-(tert-Butyl)benzenesulfonic Acid)

4-(tert-Butyl)benzenesulfonic acid is a sulfonic acid derivative characterized by the presence of a tert-butyl group at the para position of the benzene ring. This structural feature enhances its steric and electronic properties, making it a useful intermediate in organic synthesis and catalysis. The compound exhibits strong acidity due to the sulfonic acid functional group, enabling its application as an acid catalyst in various chemical reactions. Its hydrophobic tert-butyl substituent improves solubility in organic solvents, facilitating its use in non-aqueous systems. The compound is also employed in the preparation of surfactants, dyes, and pharmaceutical intermediates, where its stability and reactivity are advantageous.
4-(tert-Butyl)benzenesulfonic Acid structure
1133-17-1 structure
Product Name:4-(tert-Butyl)benzenesulfonic Acid
CAS No:1133-17-1
MF:C10H14O3S
MW:214.281362056732
CID:201191
PubChem ID:324690
Update Time:2025-10-28

4-(tert-Butyl)benzenesulfonic Acid Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-(1,1-dimethylethyl)-
    • 4-tert-butylbenzenesulfonic acid
    • 4-t-butylphenyl sulfonic acid
    • 4-tert-butyl-benzenesulfonic acid
    • 4-tert-Butyl-benzolsulfonsaeure
    • AC1L8AOG
    • DB07440
    • NSC290811
    • p-tert.-Butyl-benzolsulfonsaeure
    • tert-butylbenzene-4-sulphonic acid
    • tert-Butylbenzolsulfonat
    • DTXSID80314995
    • 4-tert-butylbenzene-1-sulfonic acid
    • NSC-290811
    • YV1D0UF57S
    • 4-(tert-Butyl)benzenesulfonic Acid
    • NSC 290811
    • UNII-YV1D0UF57S
    • 4-tert-Butylbenzenesulfonic acid, AldrichCPR
    • Q27096659
    • SCHEMBL196750
    • NS00068670
    • Benzenesulfonic acid, 4-(1,1-dimethylethyl)-
    • PD005183
    • 1133-17-1
    • DTXCID90266118
    • G90123
    • Inchi: 1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
    • InChI Key: LZQMCUIWYRQLOG-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)C(C)(C)C)(=O)(=O)O

Computed Properties

  • Exact Mass: 214.06642
  • Monoisotopic Mass: 214.066
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 274
  • 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: 2.3
  • Topological Polar Surface Area: 62.8?2

Experimental Properties

  • Density: 1.197
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.534
  • PSA: 54.37
  • LogP: 3.31160

4-(tert-Butyl)benzenesulfonic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Additional information on 4-(tert-Butyl)benzenesulfonic Acid

Professional Introduction to 4-(tert-Butyl)benzenesulfonic Acid (CAS No. 1133-17-1)

4-(tert-Butyl)benzenesulfonic acid, identified by its Chemical Abstracts Service (CAS) number 1133-17-1, is a sulfonic acid derivative of benzene with significant applications in the pharmaceutical, chemical, and material science industries. This compound, characterized by a bulky tert-butyl group attached to a benzenesulfonic acid moiety, exhibits unique physicochemical properties that make it a valuable intermediate in synthetic chemistry and industrial processes.

The structure of 4-(tert-butyl)benzenesulfonic acid consists of a benzene ring substituted with a sulfonic acid group (-SO?H) at the para position relative to the tert-butyl group (-C(CH?)?). This arrangement imparts high solubility in polar solvents and strong acidic characteristics, making it useful in various chemical reactions, including catalysis and extraction processes. The tert-butyl group enhances the steric hindrance around the sulfonic acid functionality, influencing its reactivity and stability under different conditions.

In recent years, 4-(tert-butyl)benzenesulfonic acid has garnered attention in the field of pharmaceutical research due to its potential as a precursor in drug synthesis. Its sulfonic acid group can participate in nucleophilic substitution reactions, allowing for the introduction of diverse functional groups onto the benzene ring. This flexibility has been exploited in the development of novel therapeutic agents, particularly in the area of anti-inflammatory and antimicrobial compounds. Researchers have demonstrated its utility in constructing heterocyclic scaffolds that exhibit enhanced biological activity.

One notable application of 4-(tert-butyl)benzenesulfonic acid is in the synthesis of liquid crystals and organic electronic materials. The presence of both electron-withdrawing and sterically hindered groups on the benzene ring contributes to its alignment properties, making it suitable for use in display technologies and optoelectronic devices. Recent studies have explored its incorporation into polymer matrices to improve thermal stability and charge transport properties, which are critical for advanced semiconductor applications.

The industrial significance of 4-(tert-butyl)benzenesulfonic acid extends to its role as a catalyst or catalyst ligand in organic transformations. Its strong acidity allows it to facilitate deprotonation reactions, enabling the formation of organometallic complexes that are essential in cross-coupling reactions. These reactions are pivotal in constructing complex molecular architectures used in fine chemical synthesis. Furthermore, its stability under harsh reaction conditions makes it a preferred choice for large-scale industrial processes where robustness is required.

Environmental considerations have also driven research into the derivatives of 4-(tert-butyl)benzenesulfonic acid. Efforts have been made to develop environmentally benign synthetic routes that minimize waste generation and energy consumption. For instance, green chemistry principles have been applied to optimize processes involving this compound, ensuring compliance with regulatory standards while maintaining high yields. Such advancements are crucial for sustainable industrial practices and reducing the ecological footprint of chemical manufacturing.

The versatility of 4-(tert-butyl)benzenesulfonic acid is further highlighted by its use as an additive in formulations requiring pH adjustment or surfactant properties. Its ability to act as a Bronsted-Lowry acid makes it effective in buffering solutions across a wide pH range. This characteristic is particularly valuable in cosmetic formulations and industrial cleaning agents where precise pH control is necessary for optimal performance.

Future research directions involving 4-(tert-butyl)benzenesulfonic acid are likely to focus on expanding its applications in medicinal chemistry and materials science. Innovations such as bioconjugation techniques could unlock new therapeutic possibilities by integrating this sulfonic acid derivative into drug molecules or biomaterials. Similarly, advancements in nanotechnology may leverage its structural features to develop novel nanocarriers for drug delivery systems.

In conclusion, 4-(tert-butyl)benzenesulfonic acid (CAS No. 1133-17-1) is a multifaceted compound with broad utility across multiple scientific disciplines. Its unique structural features enable diverse applications ranging from pharmaceutical synthesis to advanced material design. As research continues to uncover new possibilities for this compound, its importance is expected to grow further, driving innovation and progress in both academic and industrial settings.

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