2-(Trifluoromethyl)phenylboronic Acid
Product Information
Molecular Formula
C7H6F3O2B
Molecular Weight
189.93
Description
2-(Trifluoromethyl)phenylboronic Acid (CAS# 1423-27-4) is a reagent in the preparation of potent inhibitors of human uric acid transporter 1 (hURAT1).
Synonyms
[2-(trifluoromethyl)phenyl]boronic acid; [2-(trifluoromethyl)phenyl]boronic acid
IUPAC Name
[2-(trifluoromethyl)phenyl]boronic acid
SMILES
B(C1=CC=CC=C1C(F)(F)F)(O)O
InChI
InChI=1S/C7H6BF3O2/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4,12-13H
InChI Key
JNSBEPKGFVENFS-UHFFFAOYSA-N
Boiling Point
274.5 °C at 760 mmHg
Melting Point
111-114 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.36 g/cm3
LogP
0.38520
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
190.0412941 g/mol
Monoisotopic Mass
190.0412941 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
172
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 |
|---|---|---|
| CN-113788846-A | Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof | 2021-10-27 |
| CN-113621215-A | Preparation method of organic-inorganic hybrid biomass phenolic resin ablation-resistant material | 2021-07-28 |
| CN-112851671-A | 4-substituted pyrido [2,3-d ] pyrimidine-7-ketone compound and preparation method and application thereof | 2021-02-08 |
| CN-112939971-A | Coumarin compound and preparation method and application thereof | 2021-02-08 |
| CN-112321612-A | Thioquinoline derivative compound and application thereof in treatment of non-small cell lung cancer | 2020-09-22 |
| CN-111995587-A | 1, 4-disubstituted 3, 4-dihydro-2 (3H) -quinazolinone compound and synthetic method and application thereof | 2020-07-20 |
| KR-20220010440-A | An electroluminescent compound and an electroluminescent device comprising the same | 2020-07-17 |
| KR-20220006305-A | A composition for anti-cancer compriging 2-(phenylthio)benzo[d]thiazole derivative | 2020-07-08 |
| CN-111978538-A | Sulfur-doped covalent triazine framework polymer, preparation method thereof and application thereof in preparation of phenol | 2020-06-29 |
| WO-2021263278-A1 | Rev-erb agonists for the treatment of th17-mediated inflammatory disorders | 2020-06-23 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 18983140 | 2008-11-27 | Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase | Journal of medicinal chemistry |
