4-Bromo-3-fluorophenylboronic Acid
Product Information
Molecular Formula
C6H5BrFO2B
Molecular Weight
218.82
Description
4-Bromo-3-fluorophenylboronic Acid (CAS# 374790-97-3) is a useful research chemical.
Synonyms
(4-bromo-3-fluorophenyl)boronic acid; (4-bromo-3-fluorophenyl)boronic acid
IUPAC Name
(4-bromo-3-fluorophenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)Br)F)(O)O
InChI
InChI=1S/C6H5BBrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChI Key
ACLQPRPXJMWADE-UHFFFAOYSA-N
Boiling Point
314.7 °C at 760 mmHg
Flash Point
Not applicable
Density
1.75 g/cm3
Appearance
Solid
LogP
0.26800
Safety Information
Precautionary Statement
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
217.95500 g/mol
Monoisotopic Mass
217.95500 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136
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-2022049134-A1 | Heterocyclic compounds | 2020-09-03 |
| CN-111018797-A | Organic compound, electronic element containing the same, and electronic device | 2019-12-26 |
| CN-111018797-B | Organic compound, electronic element containing the same, and electronic device | 2019-12-26 |
| WO-2021129072-A1 | Organic compound, electronic component containing organic compound, and electronic device | 2019-12-26 |
| CN-110590770-A | Triazolopyridine-based organic electroluminescent material and organic electroluminescent device | 2019-08-22 |
| CN-110590770-B | Triazolopyridine-based organic electroluminescent material and organic electroluminescent device | 2019-08-22 |
| WO-2020205991-A1 | TOPOISOMERASE II-alpha INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME | 2019-04-01 |
| JP-2022509260-A | TYK2 inhibitors and their use | 2018-11-30 |
| AU-2018290511-A1 | Dihydropyrimidine compounds and uses thereof in medicine | 2017-06-26 |
| EP-3658554-A1 | Dihydropyrimidine compounds and uses thereof in medicine | 2017-06-26 |
