2-Fluoro-4-(trifluoromethyl)phenylboronic Acid
Product Information
Molecular Formula
C7H5F4O2B
Molecular Weight
207.92
Description
2-Fluoro-4-(trifluoromethyl)phenylboronic Acid (CAS# 503309-11-3) is a useful research chemical.
Synonyms
[2-fluoro-4-(trifluoromethyl)phenyl]boronic acid; [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
IUPAC Name
[2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
SMILES
B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O
InChI
InChI=1S/C7H5BF4O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChI Key
SSFSVKVWAURAAM-UHFFFAOYSA-N
Boiling Point
251.912 °C at 760 mmHg
Flash Point
Not applicable
Density
1.443 g/cm3
LogP
0.52430
Safety Information
Hazards
H319
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
6
Rotatable Bond Count
1
Exact Mass
208.0318722 g/mol
Monoisotopic Mass
208.0318722 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
197
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-112979688-A | Preparation method of 2-fluoro-4-trifluoromethylphenylboronic acid | 2021-05-20 |
| CN-112979688-B | Preparation method of 2-fluoro-4-trifluoromethylphenylboronic acid | 2021-05-20 |
| WO-2022053823-A1 | Substituted pyrimidine derivatives as nicotinic acetylcholinesterase receptor alpha 6 modulator | 2020-09-11 |
| WO-2021193349-A1 | Hydrophilic oil repellent polymer | 2020-03-24 |
| US-2021246140-A1 | Modulators of metabotropic glutamate receptor 2 | 2020-01-31 |
| WO-2021155196-A1 | Modulators of metabotropic glutamate receptor 2 | 2020-01-31 |
| WO-2021019051-A1 | Inhibitors of human atgl | 2019-07-30 |
| JP-2019065018-A | Harmful arthropod controlling method using heterocyclic compound | 2018-12-03 |
| WO-2020088442-A1 | Trifluoromethyl-substituted sulfonamide as bcl-2-selective inhibitor | 2018-10-29 |
| AU-2019372640-A1 | Trifluoromethyl-substituted sulfonamide as BCL-2-selective inhibitor | 2018-10-29 |
