Cas no 612541-15-8 (2-Cyano-5-fluorobenzene-1-sulfonyl chloride)

2-Cyano-5-fluorobenzene-1-sulfonyl chloride is a versatile sulfonylating agent used in organic synthesis and pharmaceutical intermediates. Its key structural features—a cyano group and a fluorine substituent—enhance reactivity and selectivity in nucleophilic substitution reactions, making it valuable for constructing complex sulfonamide derivatives. The electron-withdrawing nature of the cyano and fluorine groups facilitates efficient sulfonylation under mild conditions. This compound is particularly useful in medicinal chemistry for introducing sulfonyl functionalities into target molecules. High purity and stability ensure consistent performance in synthetic applications. Proper handling under inert conditions is recommended due to its moisture sensitivity.
2-Cyano-5-fluorobenzene-1-sulfonyl chloride structure
612541-15-8 structure
Product Name:2-Cyano-5-fluorobenzene-1-sulfonyl chloride
CAS No:612541-15-8
MF:C7H3ClFNO2S
MW:219.620622873306
MDL:MFCD18394022
CID:1024413
PubChem ID:55280153
Update Time:2025-06-28

2-Cyano-5-fluorobenzene-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2-Cyano-5-fluorobenzene-1-sulfonyl chloride
    • 2-Cyano-5-fluorobenzenesulfonyl chloride
    • EN300-276106
    • MFCD18394022
    • SCHEMBL12777966
    • AS-46093
    • 2-Cyano-5-fluorobenzene-1-sulfonylchloride
    • 2-CYANO-5-FLUOROPHENYLSULFONYL CHLORIDE
    • CS-0197765
    • A868775
    • SY241012
    • 612541-15-8
    • DB-217274
    • AKOS006335428
    • DTXSID10717339
    • CL8737
    • MDL: MFCD18394022
    • Inchi: 1S/C7H3ClFNO2S/c8-13(11,12)7-3-6(9)2-1-5(7)4-10/h1-3H
    • InChI Key: WGFLZPKSPVMZOA-UHFFFAOYSA-N
    • SMILES: ClS(C1C=C(C=CC=1C#N)F)(=O)=O

Computed Properties

  • Exact Mass: 218.95600
  • Monoisotopic Mass: 218.9557054g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 328
  • 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: 1.8
  • Topological Polar Surface Area: 66.3?2

Experimental Properties

  • PSA: 66.31000
  • LogP: 2.70568

2-Cyano-5-fluorobenzene-1-sulfonyl chloride Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-Cyano-5-fluorobenzene-1-sulfonyl chloride Pricemore >>

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2-Cyano-5-fluorobenzene-1-sulfonyl chloride Production Method

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