3-Carboxyphenylboronic Acid

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Product Information

Molecular Formula:
C7H7O4B
Molecular Weight:
165.94
Description
3-Carboxyphenylboronic acid can be used as a substrate in the preparation of: Biaryl derivatives by reacting with bromoaniline through the Suzuki-Miyaura coupling reaction; Boronic acid-functionalized block copolymer; 1H-Imidazo[1,2-a]quinoxaline derivatives.
Synonyms
3-boronobenzoic acid; 3-boronobenzoic acid
IUPAC Name
3-boronobenzoic acid
Canonical SMILES
B(C1=CC(=CC=C1)C(=O)O)(O)O
InChI
InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)
InChI Key
DBVFWZMQJQMJCB-UHFFFAOYSA-N
Boiling Point
434.512 °C at 760 mmHg
Melting Point
243-247 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.406 g/cm3
LogP
-0.93540

Safety Information

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
4
Rotatable Bond Count
2
Exact Mass
166.0437389 g/mol
Monoisotopic Mass
166.0437389 g/mol
Topological Polar Surface Area
77.8Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
171
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
The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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