Cas no 849062-13-1 (3-(2'-Fluorobenzyloxy)phenylboronic Acid)

3-(2'-Fluorobenzyloxy)phenylboronic Acid is a fluorinated phenylboronic acid derivative commonly employed in Suzuki-Miyaura cross-coupling reactions due to its stability and reactivity. The presence of the fluorobenzyloxy group enhances its electronic properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. This compound exhibits good solubility in common organic solvents, facilitating its use in homogeneous catalytic systems. Its boronic acid moiety allows for efficient transmetalation with palladium catalysts, enabling the formation of biaryl structures with high selectivity. The fluorine substituent further contributes to metabolic stability in drug development applications. Proper handling under inert conditions is recommended to preserve its reactivity.
3-(2'-Fluorobenzyloxy)phenylboronic Acid structure
849062-13-1 structure
Product Name:3-(2'-Fluorobenzyloxy)phenylboronic Acid
CAS No:849062-13-1
MF:C13H12BFO3
MW:246.041987419128
MDL:MFCD07369750
CID:716684
PubChem ID:24883695
Update Time:2025-05-28

3-(2'-Fluorobenzyloxy)phenylboronic Acid Chemical and Physical Properties

Names and Identifiers

    • (3-((2-Fluorobenzyl)oxy)phenyl)boronic acid
    • 3-(2'-Fluorobenzyloxy)phenylboronic acid
    • 3-(2-Fluorobenzyloxy)phenylboronic acid
    • Boronic acid,B-[3-[(2-fluorophenyl)methoxy]phenyl]-
    • [3-[(2-fluorophenyl)methoxy]phenyl]boronic acid
    • Boronic acid, B-[3-[(2-fluorophenyl)methoxy]phenyl]-
    • SY276958
    • AKOS009319996
    • AB32218
    • 3-[(2-FLUOROPHENYL)METHOXY]PHENYLBORONIC ACID
    • DTXSID80584616
    • CS-0174188
    • {3-[(2-Fluorophenyl)methoxy]phenyl}boronic acid
    • 3-[(2-Fluorobenzyl)oxy]phenylboronic Acid
    • MFCD07369750
    • 3-(2''-Fluorobenzyloxy)phenylboronic Acid
    • 849062-13-1
    • BS-22483
    • (3-((2-Fluorobenzyl)oxy)phenyl)boronicacid
    • BP-12148
    • SCHEMBL4317982
    • 3-(2'-Fluorobenzyloxy)phenylboronic Acid
    • MDL： MFCD07369750
    • Inchi： 1S/C13H12BFO3/c15-13-7-2-1-4-10(13)9-18-12-6-3-5-11(8-12)14(16)17/h1-8,16-17H,9H2
    • InChI Key： CPTYKSHXZNSHLB-UHFFFAOYSA-N
    • SMILES： B(C1=CC=CC(OCC2=CC=CC=C2F)=C1)(O)O

Computed Properties

  • Exact Mass: 246.08600
  • Monoisotopic Mass: 246.086
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 252
  • 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: 49.7A^2

Experimental Properties

  • Density: 1.26
  • Melting Point: 94-106?°C (lit.)
  • Boiling Point: 427.7°C at 760 mmHg
  • Flash Point: 212.5°C
  • Refractive Index: 1.577
  • PSA: 49.69000
  • LogP: 1.08450
  • pka: 8.02±0.10(Predicted)

3-(2'-Fluorobenzyloxy)phenylboronic Acid Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Safety Instruction： S22; S24/25
  • Storage Condition：under inert gas (nitrogen or Argon) at 2–8 °C

3-(2'-Fluorobenzyloxy)phenylboronic 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%

3-(2'-Fluorobenzyloxy)phenylboronic Acid Pricemore >>

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3-(2'-Fluorobenzyloxy)phenylboronic Acid Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:849062-13-1)3-(2'-Fluorobenzyloxy)phenylboronic Acid
Order Number:A863895
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:43
Price ($):298.0

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Amadis Chemical Company Limited
(CAS:849062-13-1)3-(2'-Fluorobenzyloxy)phenylboronic Acid
A863895
Purity:99%
Quantity:25g
Price ($):298.0
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