Cas no 480438-61-7 (2-Butoxy-4-fluorophenylboronic acid)

2-Butoxy-4-fluorophenylboronic acid is a boronic acid derivative featuring a fluorinated aromatic ring with a butoxy substituent. This compound is primarily utilized in Suzuki-Miyaura cross-coupling reactions, where its electron-withdrawing fluorine and alkoxy groups enhance reactivity and selectivity in forming carbon-carbon bonds. The butoxy chain improves solubility in organic solvents, facilitating handling in synthetic applications. Its stability under mild conditions and compatibility with various catalysts make it a valuable intermediate in pharmaceutical and agrochemical synthesis. The fluorine substituent further allows for selective functionalization, broadening its utility in fine chemical and material science research. Proper storage under inert conditions is recommended to maintain its integrity.
2-Butoxy-4-fluorophenylboronic acid structure
480438-61-7 structure
Product Name:2-Butoxy-4-fluorophenylboronic acid
CAS No:480438-61-7
MF:C10H14BFO3
MW:212.025766849518
MDL:MFCD06798052
CID:828900
PubChem ID:24880187
Update Time:2025-06-07

2-Butoxy-4-fluorophenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (2-Butoxy-4-fluorophenyl)boronic acid
    • 2-Butoxy-4-fluorophenylboronic acid
    • MFCD06798052
    • BS-22467
    • XH0259
    • SCHEMBL16034890
    • PLWSVNYQYXGJJG-UHFFFAOYSA-N
    • DTXSID90584283
    • AB29776
    • 480438-61-7
    • (2-Butoxy-4-fluorophenyl)boronicacid
    • AKOS015839683
    • MDL: MFCD06798052
    • Inchi: 1S/C10H14BFO3/c1-2-3-6-15-10-7-8(12)4-5-9(10)11(13)14/h4-5,7,13-14H,2-3,6H2,1H3
    • InChI Key: PLWSVNYQYXGJJG-UHFFFAOYSA-N
    • SMILES: FC1C=CC(B(O)O)=C(C=1)OCCCC

Computed Properties

  • Exact Mass: 212.10200
  • Monoisotopic Mass: 212.1020026g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 180
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 49.7?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.15
  • Melting Point: 88-93?°C (lit.)
  • Boiling Point: 333.7°C at 760 mmHg
  • Flash Point: 155.6°C
  • Refractive Index: 1.496
  • PSA: 49.69000
  • LogP: 0.68440
  • Vapor Pressure: Not available

2-Butoxy-4-fluorophenylboronic acid Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

2-Butoxy-4-fluorophenylboronic acid Pricemore >>

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