Cas no 2383774-80-7 (3-Fluoro-6-iodo-2-methylbenzonitrile)

3-Fluoro-6-iodo-2-methylbenzonitrile is a halogenated aromatic compound featuring a nitrile group, fluorine, and iodine substituents on a methyl-substituted benzene ring. Its distinct structure makes it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of both fluorine and iodine offers versatility for further functionalization via cross-coupling reactions, such as Suzuki or Sonogashira couplings. The electron-withdrawing nitrile group enhances reactivity in nucleophilic substitution reactions. This compound’s well-defined regiochemistry and stability under standard conditions ensure consistent performance in complex synthetic pathways. It is commonly utilized in the development of bioactive molecules and advanced materials.
3-Fluoro-6-iodo-2-methylbenzonitrile structure
2383774-80-7 structure
Product Name:3-Fluoro-6-iodo-2-methylbenzonitrile
CAS No:2383774-80-7
MF:C8H5FIN
MW:261.034877538681
MDL:MFCD32703352
CID:5327695
PubChem ID:154845403
Update Time:2025-05-27

3-Fluoro-6-iodo-2-methylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Fluoro-6-iodo-2-methylbenzonitrile
    • Z3325972309
    • MDL: MFCD32703352
    • Inchi: 1S/C8H5FIN/c1-5-6(4-11)8(10)3-2-7(5)9/h2-3H,1H3
    • InChI Key: WBSRMZJGXRZBEA-UHFFFAOYSA-N
    • SMILES: IC1=CC=C(C(C)=C1C#N)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 186
  • XLogP3: 2.8
  • Topological Polar Surface Area: 23.8

3-Fluoro-6-iodo-2-methylbenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-26980474-0.05g
3-fluoro-6-iodo-2-methylbenzonitrile
2383774-80-7 95.0%
0.05g
$101.0 2025-02-19
Enamine
EN300-26980474-0.1g
3-fluoro-6-iodo-2-methylbenzonitrile
2383774-80-7 95.0%
0.1g
$152.0 2025-02-19
Enamine
EN300-26980474-0.25g
3-fluoro-6-iodo-2-methylbenzonitrile
2383774-80-7 95.0%
0.25g
$216.0 2025-02-19
Enamine
EN300-26980474-0.5g
3-fluoro-6-iodo-2-methylbenzonitrile
2383774-80-7 95.0%
0.5g
$407.0 2025-02-19
Enamine
EN300-26980474-1.0g
3-fluoro-6-iodo-2-methylbenzonitrile
2383774-80-7 95.0%
1.0g
$528.0 2025-02-19
Enamine
EN300-26980474-2.5g
3-fluoro-6-iodo-2-methylbenzonitrile
2383774-80-7 95.0%
2.5g
$1034.0 2025-02-19
Enamine
EN300-26980474-5.0g
3-fluoro-6-iodo-2-methylbenzonitrile
2383774-80-7 95.0%
5.0g
$1530.0 2025-02-19
Enamine
EN300-26980474-10.0g
3-fluoro-6-iodo-2-methylbenzonitrile
2383774-80-7 95.0%
10.0g
$2269.0 2025-02-19
Enamine
EN300-26980474-1g
3-fluoro-6-iodo-2-methylbenzonitrile
2383774-80-7 95%
1g
$528.0 2023-09-11
Enamine
EN300-26980474-5g
3-fluoro-6-iodo-2-methylbenzonitrile
2383774-80-7 95%
5g
$1530.0 2023-09-11
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