Cas no 501944-42-9 (5-Fluorobenzobthien-2-ylboronic Acid)

5-Fluorobenzothien-2-ylboronic Acid is a boronic acid derivative featuring a benzothiophene core substituted with a fluorine atom at the 5-position. This compound is widely utilized in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl and heteroaryl structures with high efficiency. The fluorine substituent enhances its reactivity and selectivity in palladium-catalyzed transformations, making it valuable in pharmaceutical and materials science research. Its stability under typical reaction conditions and compatibility with diverse functional groups further contribute to its utility as a versatile building block in organic synthesis. Proper handling under inert conditions is recommended to preserve its integrity.
5-Fluorobenzobthien-2-ylboronic Acid structure
501944-42-9 structure
Product Name:5-Fluorobenzobthien-2-ylboronic Acid
CAS No:501944-42-9
MF:C8H6BFO2S
MW:196.006444454193
MDL:MFCD09952068
CID:68315
PubChem ID:53234193
Update Time:2025-05-27

5-Fluorobenzobthien-2-ylboronic Acid Chemical and Physical Properties

Names and Identifiers

    • 5-Fluorobenzo[b]thien-2-ylboronic acid
    • (5-fluoro-1-benzothiophen-2-yl)boronic acid
    • (5-fluorobenzo[b]thien-2-yl)Boronic acid
    • 5-fluorobenzo[b]thiophen-2-ylboronic acid
    • 5-Fluorobenzothiophene-2-Boronic Acid
    • DS-12939
    • 5-FLUOROBENZO[B]THIEN-2-YL BORONIC ACID
    • 5-Fluorobenzo[b]thien-2-ylboronicacid
    • CS-0042954
    • SCHEMBL290043
    • Z969202866
    • FT-0762437
    • A828004
    • DGEAJPZHUYFBGZ-UHFFFAOYSA-N
    • (5-fluorobenzothiophen-2-yl)boronic acid
    • D72692
    • J-517543
    • EN300-61610
    • 5-Fluorobenzo[b]thiene-2-boronic acid
    • 501944-42-9
    • 5-fluorobenzo[b]thiophen-2-ylboronic?acid
    • (5-fluorobenzo[b]thiophen-2-yl)boronic acid
    • DTXSID60692849
    • AKOS011560273
    • Boronic acid, (5-fluorobenzo[b]thien-2-yl)-
    • DB-071123
    • 5-Fluorobenzobthien-2-ylboronic Acid
    • MDL: MFCD09952068
    • Inchi: 1S/C8H6BFO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
    • InChI Key: DGEAJPZHUYFBGZ-UHFFFAOYSA-N
    • SMILES: S1C(B(O)O)=CC2C=C(C=CC1=2)F

Computed Properties

  • Exact Mass: 196.01700
  • Monoisotopic Mass: 196.017
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 193
  • 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: 68.7A^2

Experimental Properties

  • Density: 1.44
  • Boiling Point: 393.24 °C at 760 mmHg
  • Flash Point: 191.625 °C
  • Refractive Index: 1.641
  • PSA: 68.70000
  • LogP: 0.72020

5-Fluorobenzobthien-2-ylboronic Acid Pricemore >>

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