4-Hydroxyphenylboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C12H17O3B
Molecular Weight:
220.07
Description
Widely used in Suzuki coupling chemistry.
Synonyms
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3
InChI Key
BICZJRAGTCRORZ-UHFFFAOYSA-N
Boiling Point
333.8 °C at 760 mmHg
Melting Point
113-117 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.08 g/cm3
LogP
1.69140

Safety Information

Hazards
H315 - H319 - H335
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
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
220.1270746 g/mol
Monoisotopic Mass
220.1270746 g/mol
Topological Polar Surface Area
38.7Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
241
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

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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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