Cas no 104040-75-7 (3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride)

3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride structure
104040-75-7 structure
Product Name:3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride
CAS No:104040-75-7
MF:C6H3ClF3NO2S
MW:245.606729745865
MDL:MFCD16093662
CID:91265
PubChem ID:13910920
Update Time:2025-11-01

3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride Chemical and Physical Properties

Names and Identifiers

    • 3-(trifluoromethyl) pyridine-2-sulfonyl chloride
    • 3-(trifluoromethyl)-2-Pyridinesulfonyl chloride
    • 3-Trifluoromethyl-pyridine-2-sulfonyl chloride
    • AKOS010996719
    • GS2902
    • 3-(TRIFLUOROMETHYL)PYRIDINE-2-SULFONYL CHLORIDE
    • SCHEMBL6917349
    • 104040-75-7
    • AS-41033
    • XIEXICQWCSLBBZ-UHFFFAOYSA-N
    • 3-(TRIFLUOROMETHYL)PYRIDINE-2-SULFONYLCHLORIDE
    • CS-0440148
    • EN300-150895
    • DTXSID50552367
    • F2147-1668
    • 3-(trifluoromethyl) pyridine-2-sulfonyl chloride
    • FT-0732714
    • DA-24839
    • 3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride
    • MDL: MFCD16093662
    • Inchi: 1S/C6H3ClF3NO2S/c7-14(12,13)5-4(6(8,9)10)2-1-3-11-5/h1-3H
    • InChI Key: XIEXICQWCSLBBZ-UHFFFAOYSA-N
    • SMILES: ClS(C1C(=CC=CN=1)C(F)(F)F)(=O)=O

Computed Properties

  • Exact Mass: 244.95259
  • Monoisotopic Mass: 244.9525117g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 297
  • 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: 2.1
  • Topological Polar Surface Area: 55.4?2

Experimental Properties

  • Density: 1.607±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 56-59 oC
  • Boiling Point: 292.7±40.0 oC (760 Torr),
  • Flash Point: 130.8±27.3 oC,
  • Solubility: Very slightly soluble (0.42 g/l) (25 o C),
  • PSA: 47.03
  • LogP: 3.10870

3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride Pricemore >>

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Additional information on 3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride

Comprehensive Overview of 3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride (CAS No. 104040-75-7)

3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride (CAS No. 104040-75-7) is a highly versatile sulfonyl chloride derivative widely utilized in pharmaceutical and agrochemical research. Its unique trifluoromethyl group and reactive sulfonyl chloride moiety make it a critical intermediate for synthesizing bioactive compounds. Researchers frequently search for "3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride synthesis" or "CAS 104040-75-7 applications," reflecting its significance in modern organic chemistry.

The compound's molecular structure combines a pyridine ring with a sulfonyl chloride functional group, enabling diverse reactivity. This feature aligns with trending topics like "fluorinated building blocks in drug discovery" and "high-value chemical intermediates." Its stability under controlled conditions and compatibility with cross-coupling reactions further enhance its utility, addressing common queries such as "how to handle sulfonyl chlorides safely" and "trifluoromethylpyridine derivatives in medicinal chemistry."

In pharmaceutical applications, 3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride serves as a precursor for enzyme inhibitors and kinase modulators. Recent studies highlight its role in developing anticancer agents and antiviral drugs, resonating with popular searches like "fluorinated compounds in COVID-19 research." The agrochemical industry also leverages its properties to create herbicides and pesticides with improved efficacy, a topic often explored under "sustainable crop protection chemicals."

From a synthetic perspective, the compound's electrophilic character facilitates nucleophilic substitutions, making it ideal for constructing sulfonamides and sulfonate esters. Laboratories frequently inquire about "optimizing yields for 3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride reactions" or "alternative solvents for sulfonylation," underscoring its technical relevance. Innovations in green chemistry have further driven interest in eco-friendly protocols for its use.

Analytical methods for characterizing CAS 104040-75-7 include NMR spectroscopy, HPLC purity analysis, and mass spectrometry. These techniques address quality control concerns, a recurring theme in queries like "how to validate sulfonyl chloride purity." Storage recommendations typically emphasize anhydrous environments to prevent hydrolysis, a practical consideration for industrial users.

Emerging trends in precision medicine and bioconjugation have expanded the demand for specialized intermediates like 3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride. Its compatibility with click chemistry and proteolysis-targeting chimeras (PROTACs) aligns with cutting-edge research areas. This synergy positions the compound as a focal point for discussions on "next-generation drug design tools" and "fluorine in bioactive molecules."

In summary, 3-(Trifluoromethyl)pyridine-2-sulfonyl Chloride (CAS No. 104040-75-7) bridges fundamental research and industrial applications through its multifaceted reactivity. By addressing both academic curiosity ("mechanistic studies of sulfonyl chlorides") and practical needs ("scaling up pyridine derivatives"), it remains a cornerstone in synthetic and applied chemistry.

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