Cas no 1000577-68-3 (3-Chloro-2-fluoro-6-iodobenzonitrile)

3-Chloro-2-fluoro-6-iodobenzonitrile is a halogenated benzonitrile derivative with a unique substitution pattern, making it a valuable intermediate in organic synthesis and pharmaceutical research. The presence of chloro, fluoro, and iodo substituents on the aromatic ring enhances its reactivity, enabling selective functionalization in cross-coupling reactions and nucleophilic substitutions. Its electron-withdrawing nitrile group further contributes to its utility in constructing complex heterocyclic frameworks. This compound is particularly useful in medicinal chemistry for the development of bioactive molecules due to its ability to serve as a versatile building block. High purity and stability under standard conditions ensure reliable performance in synthetic applications.
3-Chloro-2-fluoro-6-iodobenzonitrile structure
1000577-68-3 structure
Product Name:3-Chloro-2-fluoro-6-iodobenzonitrile
CAS No:1000577-68-3
MF:C7H2ClFIN
MW:281.453356266022
CID:3157528
PubChem ID:26598335
Update Time:2025-10-10

3-Chloro-2-fluoro-6-iodobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-2-fluoro-6-iodobenzonitrile
    • AKOS026671379
    • CS-0365969
    • DTXSID101291736
    • FS-6355
    • AT45398
    • SCHEMBL16936527
    • 1000577-68-3
    • DB-099188
    • MDL： MFCD09800808
    • Inchi： 1S/C7H2ClFIN/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2H
    • InChI Key： VRQDSPDXKQJULR-UHFFFAOYSA-N
    • SMILES： IC1=CC=C(C(=C1C#N)F)Cl

Computed Properties

  • Exact Mass: 280.89045Da
  • Monoisotopic Mass: 280.89045Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 190
  • 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
  • Topological Polar Surface Area: 23.8?2

3-Chloro-2-fluoro-6-iodobenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
035145-1g
3-Chloro-2-fluoro-6-iodobenzonitrile
 1000577-68-3 95%
1g
 ￡414.00 2022-03-01
Fluorochem
035145-5g
3-Chloro-2-fluoro-6-iodobenzonitrile
 1000577-68-3 95%
5g
 ￡1688.00 2022-03-01
eNovation Chemicals LLC
Y1255659-250mg
3-Chloro-2-fluoro-6-iodobenzonitrile
 1000577-68-3 95%
250mg
 $525 2024-06-05
eNovation Chemicals LLC
Y1255659-1g
3-Chloro-2-fluoro-6-iodobenzonitrile
 1000577-68-3 95%
1g
 $1040 2024-06-05
eNovation Chemicals LLC
Y1255659-5g
3-Chloro-2-fluoro-6-iodobenzonitrile
 1000577-68-3 95%
5g
 $4500 2024-06-05
eNovation Chemicals LLC
Y1255659-100mg
3-Chloro-2-fluoro-6-iodobenzonitrile
 1000577-68-3 95%
100mg
 $305 2025-02-19
eNovation Chemicals LLC
Y1255659-250mg
3-Chloro-2-fluoro-6-iodobenzonitrile
 1000577-68-3 95%
250mg
 $550 2025-02-19
eNovation Chemicals LLC
Y1255659-1g
3-Chloro-2-fluoro-6-iodobenzonitrile
 1000577-68-3 95%
1g
 $1095 2025-02-19
eNovation Chemicals LLC
Y1255659-5g
3-Chloro-2-fluoro-6-iodobenzonitrile
 1000577-68-3 95%
5g
 $4765 2025-02-19
1PlusChem
1P01FDQZ-250mg
3-Chloro-2-fluoro-6-iodobenzonitrile
 1000577-68-3 95%
250mg
 $341.00 2023-12-27

3-Chloro-2-fluoro-6-iodobenzonitrile Related Literature

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