4-Hydroxyphenylboronic Acid
Product Information
Molecular Formula
C6H7O3B
Molecular Weight
137.93
Description
Reagent used for: Suzuki-Miyaura coupling and Stille coupling and potential for introducing different alkyl groups ; Palladium-catalyzed aminocarbonylation and cross-coupling reactions ; Bio-supported palladium nanoparticles as phosphine-free catalyst for Suzuki reaction in water ; Cu2O-catalyzed aerobic oxidative cross-coupling of tetrazoles Reagent used in Preparation of; PDK1 inhibitory activity (cancer cell growth, survival, and tumorigenesis inhibitor) ; Rod-like dendronized polymers contg. G4 and G5 ester dendrons via macromonomer approach by living ROMP ; Estrone-derived cyclopamine analogs as Sonic Hedgehog signaling inhibitors for anti-cancer chemotherapeutics ; Enzymatic inhibitors for the treatment of gram-negative bacterial infections.
Synonyms
(4-hydroxyphenyl)boronic acid; (4-hydroxyphenyl)boronic acid
IUPAC Name
(4-hydroxyphenyl)boronic acid
SMILES
B(C1=CC=C(C=C1)O)(O)O
InChI
InChI=1S/C6H7BO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8-10H
InChI Key
COIQUVGFTILYGA-UHFFFAOYSA-N
Boiling Point
351.4 °C at 760 mmHg
Melting Point
>230 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.32 g/cm3
LogP
-0.92800
Safety Information
Hazards
H315 - 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
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
138.0488242 g/mol
Monoisotopic Mass
138.0488242 g/mol
Topological Polar Surface Area
60.7Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
99.2
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
