2,4-Bis(trifluoromethyl)phenylboronic acid

Product Information

Molecular Formula:
C8H5BF6O2
Molecular Weight:
257.93
Description
Reactant for preparation of:• Pyrrolo[2,3-d]pyrimidin-4-ones as corticotropin-releasing factor 1 receptor antagonists with a carbonyl-based hydrogen bonding acceptor• Biaryl pyrazole carboxamides as sodium channel blockers for treatment of neuropathic pain• Biphenylketones as dual modulators of inflammation and bone loss• (Biphenylyl)pyrazolecarboxamides and their voltage-gated sodium channel Nav1.7 blocking structure-activity relationship• N-hydroxyalkyl biphenylsulfonamides as inhibitors of bone resorption• 1,3,6,8a-tetraazaacenaphthylene derivatives and study of their activity as corticotropin-releasing factor-1 antagonists• Blue luminescent iridium phenylpyridine complexes
Synonyms
(2,4-Ditrifluoromethylphenyl)boronic acid,2,4-Bis(trifluoromethyl)benzeneboronic acid,2,4-Di(trifluoromethyl)benzeneboronic acid
IUPAC Name
[2,4-bis(trifluoromethyl)phenyl]boronic acid
Canonical SMILES
B(C1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F)(O)O
InChI
InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-2-6(9(16)17)5(3-4)8(13,14)15/h1-3,16-17H
InChI Key
WLYPBMBWKYALCG-UHFFFAOYAU
Melting Point
110-117 °C
Flash Point
Not applicable
Purity
98%

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
1
Exact Mass
258.0286785 g/mol
Monoisotopic Mass
258.0286785 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
264
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2025 BOC Sciences. All rights reserved.
Top
Inquiry Basket