Cas no 876601-43-3 (2-Cyano-4-fluorophenylboronic acid)

2-Cyano-4-fluorophenylboronic acid structure
876601-43-3 structure
Product Name:2-Cyano-4-fluorophenylboronic acid
CAS No:876601-43-3
MF:C7H5BFNO2
MW:164.929505109787
MDL:MFCD12546526
CID:706840
PubChem ID:46739605
Update Time:2024-10-26

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

Names and Identifiers

    • (2-Cyano-4-fluorophenyl)boronic acid
    • 2-CYANO-4-FLUOROPHENYLBORONIC ACID
    • Boronic acid, B-(2-cyano-4-fluorophenyl)-
    • 2-Cyano-4-fluorobenzeneboronic acid pinacol ester
    • Boronic acid, (2-cyano-4-fluorophenyl)-
    • TZAYQOISLSBMIP-UHFFFAOYSA-N
    • 3924AC
    • FCH923704
    • (2-cyano-4-fluoranyl-phenyl)boronic acid
    • PC412334
    • Boronic acid,b-(2-cyano-4-fluorophenyl)-
    • AX8223291
    • ST2402201
    • A842328
    • B-(2-Cyano-4-fluorophenyl)boronic acid (ACI)
    • Boronic acid, (2-cyano-4-fluorophenyl)- (9CI)
    • AKOS006344054
    • SCHEMBL385455
    • DTXSID90675201
    • 2-Cyano-4-fluorophenylboronicacid
    • (2-cyano-4-fluoro-phenyl)boronic acid
    • 876601-43-3
    • SY104705
    • MFCD12546526
    • (2-Cyano-4-fluorophenyl)boronicacid
    • DS-16922
    • EN300-179766
    • CS-W006342
    • 2-Cyano-4-fluorophenylboronic acid
    • MDL： MFCD12546526
    • Inchi： 1S/C7H5BFNO2/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3,11-12H
    • InChI Key： TZAYQOISLSBMIP-UHFFFAOYSA-N
    • SMILES： N#CC1C(B(O)O)=CC=C(F)C=1

Computed Properties

  • Exact Mass: 165.04000
  • Monoisotopic Mass: 165.04
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 203
  • 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: 64.2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.4±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 357.8±52.0 °C at 760 mmHg
  • Flash Point: 170.2±30.7 °C
  • PSA: 64.25000
  • LogP: -0.62282

2-Cyano-4-fluorophenylboronic acid Security Information

2-Cyano-4-fluorophenylboronic acid Pricemore >>

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2-Cyano-4-fluorophenylboronic acid Production Method

Production Method 1

Reaction Conditions
Reference
Enantioselective Diels-Alder Reaction Induced by Chiral Supramolecular Lewis Acid Catalysts Based on CN···B and PO···B Coordination Bonds
Hatano, Manabu; et al, Synlett, 2016, 27(7), 1061-1067

2-Cyano-4-fluorophenylboronic acid Raw materials

2-Cyano-4-fluorophenylboronic acid Preparation Products

2-Cyano-4-fluorophenylboronic acid Related Literature

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