Cas no 881402-22-8 (2-Fluoro-5-(trifluoromethoxy)phenylboronic acid)

2-Fluoro-5-(trifluoromethoxy)phenylboronic acid structure
881402-22-8 structure
Product Name:2-Fluoro-5-(trifluoromethoxy)phenylboronic acid
CAS No:881402-22-8
MF:C7H5BF4O3
MW:223.917416334152
MDL:MFCD09027234
CID:720721
Update Time:2024-10-26

2-Fluoro-5-(trifluoromethoxy)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (2-Fluoro-5-(trifluoromethoxy)phenyl)boronic acid
    • 2-Fluoro-5-(trifluoromethoxy)benzeneboronic acid
    • 2-Fluoro-5-(trifluoromethoxy)benzeneboronic
    • [2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid
    • 2-FLUORO-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID
    • Boronic acid,B-[2-fluoro-5-(trifluoromethoxy)phenyl]-
    • 2-Fluoro-5-(Trifluoromethoxy)PhenylboronicAcid
    • NGTLLTDDJHXHQE-UHFFFAOYSA-N
    • PC6988
    • SBB071106
    • CS-W
    • B-[2-Fluoro-5-(trifluoromethoxy)phenyl]boronic acid (ACI)
    • Boronic acid, [2-fluoro-5-(trifluoromethoxy)phenyl]- (9CI)
    • 2-Fluoro-5-(trifluoromethoxy)phenylboronic acid
    • MDL: MFCD09027234
    • Inchi: 1S/C7H5BF4O3/c9-6-2-1-4(15-7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
    • InChI Key: NGTLLTDDJHXHQE-UHFFFAOYSA-N
    • SMILES: FC1C(B(O)O)=CC(OC(F)(F)F)=CC=1

Computed Properties

  • Exact Mass: 224.02700
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 211
  • 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: 49.7
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Density: 1.5
  • Melting Point: 93-99°C
  • Boiling Point: 279.9℃ at 760 mmHg
  • Refractive Index: 1.44
  • PSA: 49.69000
  • LogP: 0.40410

2-Fluoro-5-(trifluoromethoxy)phenylboronic acid Security Information

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