2,4-DIBROMO-6-FLUOROPHENYLBORONIC ACID
Product Information
Molecular Formula
C6H4BBr2FO2
Description
2,4-Dibromo-6-fluorophenylboronic Acid is a boronic acid derivative extensively employed in biomedical research, specifically in Suzuki coupling reactions. It's commonly used to synthesize pharmaceuticals and in the development of antigens for disease detection.
Synonyms
(2,4-Dibromo-6-fluorophenyl)boronic acid; (2,4-Dibromo-6-fluorophenyl)boronicacid; (2,4-Dibromo-6-fluoro-phenyl)boronic acid
IUPAC Name
(2,4-dibromo-6-fluorophenyl)boronic acid
SMILES
B(C1=C(C=C(C=C1Br)Br)F)(O)O
InChI
InChI=1S/C6H4BBr2FO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H
InChI Key
HZNUDGYZJPJQTD-UHFFFAOYSA-N
Boiling Point
357.5°C at 760 mmHg
Purity
98%
Density
2.15g/cm3
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
297.86346 g/mol
Monoisotopic Mass
295.86551 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
161
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 |
|---|---|---|
| US-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
