2,3,5-trifluorophenylboronic acid

Product Information

Molecular Formula:
C6H4O2BF3
Molecular Weight:
175.9
Description
Reactant involved in the synthesis of biologically active compounds:• Pyrazole-acids to be used as agonists of human orphan GPCR GPR109a• Bicyclic pyrazole carboxylic acid derivatives as a niacin receptor agonist• 5-Alkyl and 5-aryl-pyrazole-tetrazoles as agonists of human orphan GPCR GPR109a
Synonyms
RARECHEM AH PB 0120; 2,3,5-Trifluorobenzeneboronic acid; 2,3,5-Trifluorophenylboronic acid
IUPAC Name
(2,3,5-trifluorophenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1F)F)F)(O)O
InChI
InChI=1S/C6H4BF3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H
InChI Key
IRMUMGKQAXLGHK-UHFFFAOYSA-N
Boiling Point
269.3°C at 760mmHg
Melting Point
221°C (dec.)
Flash Point
Not applicable
Purity
97%
Density
1.44g/cm3
Appearance
White powder

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
176.0256440 g/mol
Monoisotopic Mass
176.0256440 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
158
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

Patents

Publication Number Title Priority Date
WO-2022036177-A1 Antagonists of the muscarinic acetylcholine receptor m4 2020-08-13
WO-2021216951-A1 Condensed substituted hydropyrroles as antagonists of the muscarinic acetylcholine receptor m4 2020-04-24
WO-2021204930-A1 Substituted condensed azines as anthelmintic compounds 2020-04-09
CN-110981699-A Improvement of synthesis process of 3,4, 5-trifluorophenol 2019-12-17
WO-2021119254-A1 Antagonists of the muscarinic acetylcholine receptor m4 2019-12-10
WO-2021119265-A1 Antagonists of the muscarinic acetylcholine receptor m4 2019-12-10
WO-2021067696-A1 Antagonists of the muscarinic acetylcholine receptor m4 2019-10-04
WO-2021018839-A1 Isoquinoline derivatives and their use for the treatment of parasitic infections 2019-07-30
TW-202120490-A New isoquinoline derivatives 2019-07-30
US-2020385398-A1 New bicyclic derivatives 2019-06-07
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

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