Cas no 1197193-11-5 (2-Fluoro-4-(methylsulfonyl)benzaldehyde)

2-Fluoro-4-(methylsulfonyl)benzaldehyde is a fluorinated aromatic aldehyde featuring a methylsulfonyl substituent at the para position. This compound is a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both the electron-withdrawing fluoro and methylsulfonyl groups enhances its reactivity in nucleophilic aromatic substitution and cross-coupling reactions. Its high purity and stability make it suitable for precise synthetic applications. The structural motifs in this compound are valuable for designing bioactive molecules, offering potential applications in drug discovery and material science. Proper handling under controlled conditions is recommended due to its reactive aldehyde functionality.
2-Fluoro-4-(methylsulfonyl)benzaldehyde structure
1197193-11-5 structure
Product Name:2-Fluoro-4-(methylsulfonyl)benzaldehyde
CAS No:1197193-11-5
MF:C8H7FO3S
MW:202.202784776688
MDL:MFCD13191594
CID:1056207
PubChem ID:53393163
Update Time:2025-10-28

2-Fluoro-4-(methylsulfonyl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-4-(methylsulfonyl)benzaldehyde
    • 2-fluoro-4-methylsulfonylbenzaldehyde
    • 2-fluoro-4-methanesulfonylbenzaldehyde
    • TRA0077662
    • SY006888
    • AB0064249
    • AB1000819
    • Z8112
    • Benzaldehyde, 2-fluoro-4-(methylsulfonyl)-
    • MFCD13191594
    • 2-Fluoro-4-(methylsulphonyl)benzaldehyde
    • 1197193-11-5
    • SCHEMBL16878248
    • DB-061615
    • Z1269118739
    • AMY20188
    • AS-31530
    • CS-0099949
    • XXB19311
    • EN300-134118
    • AKOS015891536
    • MDL: MFCD13191594
    • Inchi: 1S/C8H7FO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
    • InChI Key: LXWRYLZWVVZZCM-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=CC(C=O)=C(C=1)F)(=O)=O

Computed Properties

  • Exact Mass: 202.01000
  • Monoisotopic Mass: 202.00999342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 280
  • 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
  • Topological Polar Surface Area: 59.6
  • XLogP3: 0.7

Experimental Properties

  • Density: 1.374±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.59 g/l) (25 o C),
  • PSA: 59.59000
  • LogP: 2.12250

2-Fluoro-4-(methylsulfonyl)benzaldehyde Customs Data

  • HS CODE:2913000090
  • Customs Data:

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

2-Fluoro-4-(methylsulfonyl)benzaldehyde Pricemore >>

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Additional information on 2-Fluoro-4-(methylsulfonyl)benzaldehyde

2-Fluoro-4-(methylsulfonyl)benzaldehyde (CAS No. 1197193-11-5): A Versatile Building Block in Modern Organic Synthesis

2-Fluoro-4-(methylsulfonyl)benzaldehyde (CAS No. 1197193-11-5) is a highly valuable fluorinated aromatic aldehyde that has gained significant attention in pharmaceutical and materials science research. This fluorinated benzaldehyde derivative features both an electron-withdrawing methylsulfonyl group and a reactive aldehyde functional group, making it an important intermediate for various synthetic applications.

The molecular structure of 2-Fluoro-4-(methylsulfonyl)benzaldehyde contains three key functional elements: the fluorine substituent at the 2-position, the methylsulfonyl group at the 4-position, and the formyl group (-CHO) attached to the benzene ring. This unique combination of substituents creates a polarized electronic environment that influences both the compound's reactivity and physical properties. The methylsulfonyl group in particular enhances the compound's stability while maintaining good solubility in common organic solvents.

Recent studies highlight the growing importance of fluorinated aromatic aldehydes like 2-Fluoro-4-(methylsulfonyl)benzaldehyde in drug discovery programs. The pharmaceutical industry has shown increasing interest in such compounds due to their potential as kinase inhibitor precursors and protein-protein interaction modulators. Researchers are particularly focused on how the fluorine atom and methylsulfonyl group can influence biological activity through effects on molecular conformation and binding affinity.

In materials science, 2-Fluoro-4-(methylsulfonyl)benzaldehyde serves as a key building block for advanced organic electronic materials. Its derivatives have shown promise in the development of organic semiconductors, liquid crystal displays, and photovoltaic materials. The compound's ability to participate in various condensation reactions makes it valuable for creating conjugated systems with tailored electronic properties.

The synthetic utility of 2-Fluoro-4-(methylsulfonyl)benzaldehyde extends to its use in cross-coupling reactions, where it can serve as an electrophilic partner in palladium-catalyzed processes. Chemists frequently employ this compound in Suzuki-Miyaura couplings and Buchwald-Hartwig aminations to create complex molecular architectures. The presence of both fluorine and methylsulfonyl substituents allows for selective functionalization at different positions on the aromatic ring.

From a commercial perspective, 2-Fluoro-4-(methylsulfonyl)benzaldehyde has seen steady demand growth in recent years, particularly from contract research organizations and specialty chemical manufacturers. Market analysts attribute this trend to the expanding applications of fluorinated building blocks in life sciences and advanced materials. Current research focuses on developing more efficient synthetic routes to this compound to meet the growing industrial demand.

Environmental considerations for 2-Fluoro-4-(methylsulfonyl)benzaldehyde follow standard protocols for handling aromatic aldehydes. While not classified as highly hazardous, proper laboratory practices should be observed when working with this compound. Researchers emphasize the importance of understanding its physicochemical properties, including solubility characteristics and stability under various conditions, to ensure safe handling and optimal performance in synthetic applications.

The future outlook for 2-Fluoro-4-(methylsulfonyl)benzaldehyde appears promising, with potential applications emerging in bioconjugation chemistry and targeted drug delivery systems. As synthetic methodologies continue to advance, this compound is likely to play an increasingly important role in the development of next-generation therapeutics and functional materials. Ongoing research aims to explore its utility in click chemistry applications and as a precursor for fluorescent probes used in biological imaging.

For researchers working with 2-Fluoro-4-(methylsulfonyl)benzaldehyde, proper storage conditions are essential to maintain product quality. The compound should be kept in a cool, dry environment, protected from light and moisture. Many suppliers recommend storing this fluorinated benzaldehyde derivative under inert atmosphere when long-term stability is required, especially for sensitive applications in medicinal chemistry.

Analytical characterization of 2-Fluoro-4-(methylsulfonyl)benzaldehyde typically involves a combination of techniques including nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and high-performance liquid chromatography (HPLC). These methods allow for precise determination of purity and identification of potential impurities, which is particularly important for pharmaceutical applications where stringent quality standards apply.

The global market for specialty fluorinated compounds like 2-Fluoro-4-(methylsulfonyl)benzaldehyde continues to expand, driven by innovation in drug discovery and materials science. Industry reports suggest that Asia-Pacific regions are experiencing particularly strong growth in demand for such intermediates, reflecting the increasing research and development activities in these markets. This trend aligns with broader shifts in the chemical industry toward more specialized, high-value products.

In conclusion, 2-Fluoro-4-(methylsulfonyl)benzaldehyde (CAS No. 1197193-11-5) represents an important class of fluorinated aromatic aldehydes with wide-ranging applications in modern chemistry. Its unique combination of structural features makes it a versatile building block for pharmaceutical, materials, and synthetic chemistry applications. As research continues to uncover new uses for this compound, its significance in chemical synthesis is expected to grow further in the coming years.

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