Cas no 351003-38-8 (3-(Difluoromethoxy)benzene-1-sulfonyl chloride)

3-(Difluoromethoxy)benzene-1-sulfonyl chloride is a versatile sulfonylating reagent used in organic synthesis, particularly for introducing the 3-(difluoromethoxy)benzenesulfonyl moiety into target molecules. Its key advantages include high reactivity with nucleophiles, enabling efficient sulfonamide and sulfonate ester formation. The difluoromethoxy group enhances metabolic stability and lipophilicity, making it valuable in pharmaceutical and agrochemical applications. The compound is typically handled under anhydrous conditions due to its moisture sensitivity. Its structural features allow for further functionalization, supporting the development of biologically active compounds. Proper storage and handling are essential to maintain its stability and reactivity.
3-(Difluoromethoxy)benzene-1-sulfonyl chloride structure
351003-38-8 structure
Product Name:3-(Difluoromethoxy)benzene-1-sulfonyl chloride
CAS No:351003-38-8
MF:C7H5ClF2O3S
MW:242.627607107162
MDL:MFCD03094157
CID:67787
PubChem ID:2778226
Update Time:2025-10-31

3-(Difluoromethoxy)benzene-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 3-(Difluoromethoxy)benzene-1-sulfonyl chloride
    • 3-(DIFLUOROMETHOXY)BENZENESULFONYL CHLORIDE
    • 3-(Difluoromethoxy)benzenesulphonyl chloride
    • 3-(DIFLUOROMETHOXY)phenylsulfonyl CHLORIDE
    • 3-difluoromethoxybenzenesulfonylchloride
    • DTXSID10380820
    • EN300-272219
    • 3-(DIFLUOROMETHOXY)BENZENESULFONYLCHLORIDE
    • 3-(Difluoromethoxy)benzene-1-sulfonylchloride
    • 3-[bis(fluoranyl)methoxy]benzenesulfonyl chloride
    • 3-(Difluoromethoxy)benzene sulfonyl chloride
    • MFCD03094157
    • 3-difluoromethoxybenzene sulfonylchloride
    • AKOS005136298
    • AM62489
    • J-019918
    • 351003-38-8
    • 3-difluoromethoxy-benzenesulfonyl chloride
    • 3-(Difluoromethoxy)benzenesulfonyl chloride, 97%
    • SCHEMBL113409
    • NS-03436
    • A822554
    • FT-0706398
    • 3-(difluoromethoxy)-benzene-sulfonylchloride
    • CK1142
    • 3-(Difluoromethoxy)benzenesulphonylchloride
    • STL215234
    • DTXCID40331845
    • MDL: MFCD03094157
    • Inchi: 1S/C7H5ClF2O3S/c8-14(11,12)6-3-1-2-5(4-6)13-7(9)10/h1-4,7H
    • InChI Key: VKSMJFRQQMGYHS-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC=C(C=1)OC(F)F)(=O)=O

Computed Properties

  • Exact Mass: 241.96200
  • Monoisotopic Mass: 241.962
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 275
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 51.8A^2

Experimental Properties

  • Density: 1.509?g/mL?at 25?°C(lit.)
  • Boiling Point: 233-234?°C(lit.)
  • Flash Point: Fahrenheit: 206.6 ° f
    Celsius: 97 ° c
  • Refractive Index: n20/D 1.5100(lit.)
  • PSA: 51.75000
  • LogP: 3.29630

3-(Difluoromethoxy)benzene-1-sulfonyl chloride Security Information

3-(Difluoromethoxy)benzene-1-sulfonyl chloride Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3-(Difluoromethoxy)benzene-1-sulfonyl chloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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abcr
AB228049-5 g
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abcr
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Additional information on 3-(Difluoromethoxy)benzene-1-sulfonyl chloride

Introduction to 3-(Difluoromethoxy)benzene-1-sulfonyl chloride (CAS No. 351003-38-8)

3-(Difluoromethoxy)benzene-1-sulfonyl chloride, identified by the Chemical Abstracts Service Number (CAS No.) 351003-38-8, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of sulfonyl chlorides, which are widely recognized for their utility as intermediates in the synthesis of various bioactive molecules. The presence of both a difluoromethoxy group and a sulfonyl chloride functionality makes this molecule particularly intriguing, as these structural features can impart unique chemical properties that are highly valuable in medicinal chemistry and material science.

The difluoromethoxy group, specifically, is a fluorinated ether moiety that has been extensively studied for its ability to modulate the pharmacokinetic and pharmacodynamic properties of drug candidates. Fluorine atoms are known to enhance metabolic stability, improve binding affinity to biological targets, and influence the overall solubility and bioavailability of compounds. In contrast, the sulfonyl chloride group is a well-established electrophile that serves as a versatile synthetic handle for introducing sulfonamide functionalities into molecular frameworks. This combination of features in 3-(Difluoromethoxy)benzene-1-sulfonyl chloride makes it a promising building block for the development of novel therapeutic agents.

In recent years, there has been a surge in research focused on the design and synthesis of molecules containing fluorinated aromatic systems. The ability to fine-tune electronic and steric properties through fluorine substitution has opened up new avenues for drug discovery. For instance, studies have demonstrated that the introduction of fluorine atoms can lead to improved receptor binding by altering hydrophobic interactions and hydrogen bonding patterns. Additionally, the difluoromethoxy group has been shown to enhance lipophilicity, which is often a critical factor in drug transport across biological membranes.

3-(Difluoromethoxy)benzene-1-sulfonyl chloride (CAS No. 351003-38-8) has found applications in the synthesis of various pharmacologically active compounds. One notable area of interest is its use as an intermediate in the preparation of sulfonamide-based drugs, which are known for their broad spectrum of biological activity. Sulfonamides have been used successfully in treating infections, inflammation, and even certain types of cancer. The sulfonyl chloride moiety allows for facile coupling with amines to form sulfonamides, making this compound a valuable reagent in medicinal chemistry laboratories.

Moreover, the unique electronic properties of the difluoromethoxy group have been exploited in material science applications. For example, fluorinated aromatic compounds have been investigated for their potential use as organic semiconductors and liquid crystals due to their ability to exhibit high thermal stability and tunable electronic characteristics. The synthesis of advanced materials often relies on such intermediates to achieve desired physical properties.

Recent advancements in synthetic methodologies have further enhanced the utility of 3-(Difluoromethoxy)benzene-1-sulfonyl chloride (CAS No. 351003-38-8). Techniques such as transition-metal-catalyzed cross-coupling reactions have enabled chemists to construct complex molecular architectures with greater efficiency and selectivity. These methods have allowed for the rapid diversification of libraries containing this intermediate, facilitating high-throughput screening programs aimed at identifying novel drug candidates.

The pharmaceutical industry has also benefited from the growing body of knowledge surrounding fluorinated sulfonyl chlorides. Researchers have developed innovative strategies to incorporate these moieties into drug molecules while maintaining or improving their therapeutic efficacy. For instance, studies have shown that certain fluorinated sulfonamides exhibit enhanced antiviral and anticancer activities compared to their non-fluorinated counterparts. This underscores the importance of carefully selecting structural motifs like those found in 3-(Difluoromethoxy)benzene-1-sulfonyl chloride when designing new therapeutic agents.

In conclusion, 3-(Difluoromethoxy)benzene-1-sulfonyl chloride (CAS No. 351003-38-8) represents a versatile and highly functional compound with significant potential in both academic research and industrial applications. Its unique combination of structural features makes it an invaluable tool for synthetic chemists working on pharmaceuticals and advanced materials. As our understanding of fluorinated systems continues to evolve, it is likely that this compound will play an even greater role in shaping the future of chemical biology and drug discovery.

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