Cas no 730964-91-7 (2-ISOCYANO-5-CHLORO-2'-FLUOROBENZOPHENONE)

2-Isocyano-5-chloro-2'-fluorobenzophenone is a specialized organic compound featuring both isocyano and halogenated functional groups, making it a valuable intermediate in synthetic chemistry. Its unique structure, combining a reactive isocyanide moiety with chloro and fluoro substituents, enables selective participation in multicomponent reactions, particularly in the synthesis of heterocycles and pharmacologically active scaffolds. The electron-withdrawing effects of the halogen atoms enhance its reactivity in nucleophilic additions and cycloadditions. This compound is particularly useful in medicinal chemistry for constructing complex molecular architectures with potential biological activity. Its stability under standard conditions and compatibility with various reaction conditions further underscore its utility in advanced organic synthesis.
2-ISOCYANO-5-CHLORO-2'-FLUOROBENZOPHENONE structure
730964-91-7 structure
Product Name:2-ISOCYANO-5-CHLORO-2'-FLUOROBENZOPHENONE
CAS No:730964-91-7
MF:C14H7ClFNO
MW:259.662885904312
CID:890684
PubChem ID:2759421
Update Time:2025-05-27

2-ISOCYANO-5-CHLORO-2'-FLUOROBENZOPHENONE Chemical and Physical Properties

Names and Identifiers

    • 2-ISOCYANO-5-CHLORO-2'-FLUOROBENZOPHENONE
    • (5-chloro-2-isocyanophenyl)-(2-fluorophenyl)methanone
    • AKOS015959258
    • DTXSID70374785
    • 730964-91-7
    • MDL： MFCD04117589
    • Inchi： 1S/C14H7ClFNO/c1-17-13-7-6-9(15)8-11(13)14(18)10-4-2-3-5-12(10)16/h2-8H
    • InChI Key： OGGXYSVLBMLBMI-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=C(C=1)C(C1C=CC=CC=1F)=O)[N+]#[C-]

Computed Properties

  • Exact Mass: 259.02000
  • Monoisotopic Mass: 259.0200197g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 364
  • 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: 3.7
  • Topological Polar Surface Area: 21.4?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 3.49160

2-ISOCYANO-5-CHLORO-2'-FLUOROBENZOPHENONE 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-ISOCYANO-5-CHLORO-2'-FLUOROBENZOPHENONE Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
021193-1g
2-Isocyano-5-chloro-2'-fluorobenzophenone
 730964-91-7
1g
 ￡359.00 2022-02-28

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