Cas no 1192023-08-7 (4-Cyano-2-fluoro-5-methylphenylboronic acid, pinacol ester)

4-Cyano-2-fluoro-5-methylphenylboronic acid pinacol ester is a boronic acid derivative commonly employed in Suzuki-Miyaura cross-coupling reactions due to its stability and reactivity. The pinacol ester group enhances shelf life and handling by protecting the boronic acid moiety from protodeboronation and oxidation. The presence of electron-withdrawing cyano and fluoro substituents, along with the methyl group, influences its reactivity and selectivity in aryl-aryl bond formation. This compound is particularly useful in pharmaceutical and agrochemical synthesis, where controlled functionalization of aromatic systems is required. Its crystalline form ensures consistent purity, making it a reliable reagent for precision applications in organic synthesis.
4-Cyano-2-fluoro-5-methylphenylboronic acid, pinacol ester structure
1192023-08-7 structure
Product Name:4-Cyano-2-fluoro-5-methylphenylboronic acid, pinacol ester
CAS No:1192023-08-7
MF:C14H17BFNO2
MW:261.099687337875
MDL:MFCD12405378
CID:839934
PubChem ID:53217167
Update Time:2025-06-07

4-Cyano-2-fluoro-5-methylphenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 4-CYANO-2-FLUORO-5-METHYLPHENYLBORONIC ACID, PINACOL ESTER
    • 5-Fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
    • A-5338
    • CS-0174777
    • DTXSID40682268
    • 4-Cyano-2-fluoro-5-methylphenylboronic acid,pinacol ester
    • AKOS015999641
    • Benzonitrile, 5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • 1192023-08-7
    • 4-Cyano-2-fluoro-5-methylphenylboronic acid pinacol ester
    • AT17121
    • MFCD12405378
    • BS-19496
    • DB-061535
    • 4-Cyano-2-fluoro-5-methylphenylboronic acid, pinacol ester
    • MDL： MFCD12405378
    • Inchi： 1S/C14H17BFNO2/c1-9-6-11(12(16)7-10(9)8-17)15-18-13(2,3)14(4,5)19-15/h6-7H,1-5H3
    • InChI Key： HTUJWJWTEQBFEF-UHFFFAOYSA-N
    • SMILES： FC1=CC(C#N)=C(C)C=C1B1OC(C)(C)C(C)(C)O1

Computed Properties

  • Exact Mass: 261.13400
  • Monoisotopic Mass: 261.1336371g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 388
  • 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
  • Topological Polar Surface Area: 42.2?2

Experimental Properties

  • PSA: 42.25000
  • LogP: 2.30498

4-Cyano-2-fluoro-5-methylphenylboronic acid, pinacol ester Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-Cyano-2-fluoro-5-methylphenylboronic acid, pinacol ester Pricemore >>

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abcr
AB273814-250 mg
4-Cyano-2-fluoro-5-methylphenylboronic acid, pinacol ester; 96%
 1192023-08-7
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 €467.00 2023-04-26

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