3-Formylphenylboronic acid

Product Information

Molecular Formula:
C7H7BO3
Molecular Weight:
149.94
Description
Reagent used: To study the effects of boronic acid on fluoride-selective chemosignaling behavior of merocyanine dye; As exciton-coupled CD probes for epigallocatechin gallateBiological inhibitor of γ-glutamyltranspeptidase. Reactant involved in: Palladium-catalyzed homocoupling; Suzuki coupling reactions.
Synonyms
(3-formylphenyl)boronic acid
IUPAC Name
(3-formylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)C=O)(O)O
InChI
InChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H
InChI Key
HJBGZJMKTOMQRR-UHFFFAOYSA-N
Boiling Point
354.388 ℃ at 760 mmHg
Melting Point
109-113 ℃
Flash Point
Not applicable
Purity
98 %
Density
1.244 g/cm3
LogP
-0.82110

Safety Information

Hazards
H314
Precautionary Statement
P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Danger

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
150.0488242 g/mol
Monoisotopic Mass
150.0488242 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
138
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
CN-113788790-A Aromatic heterocyclic amide derivative and application thereof 2021-10-18
CN-113620965-A Nano organic cage with double-phase strong fluorescence and circular polarization luminescence and preparation method thereof 2021-07-01
CN-112851671-A 4-substituted pyrido [2,3-d ] pyrimidine-7-ketone compound and preparation method and application thereof 2021-02-08
CN-112939971-A Coumarin compound and preparation method and application thereof 2021-02-08
CN-112932412-A Self-adhesion electronic skin based on multiple reversible bonding effects and preparation method and application thereof 2021-01-20
CN-112675823-A Glycoprotein molecularly imprinted nanoparticles and synthetic method thereof 2020-11-29
CN-113968856-A Compounds with kinase inhibition activity 2020-07-23
WO-2022017338-A1 Tetrahydropyrazolo-pyrazinyl-dihydroimidazolone or tetrahydropyrazolo-pyridinyl-dihydroimidazolone compounds and methods of using same 2020-07-20
WO-2021169963-A1 Aromatic compound and use thereof in preparing antineoplastic drugs 2020-02-24
WO-2021147953-A1 Pyrimido five-membered ring derivative and application thereof 2020-01-21

Literatures

PMID Publication Date Title Journal
21378917 2009-09-01 Metal-free carbon-carbon bond-forming reductive coupling between boronic acids and tosylhydrazones Nature chemistry
15131387 2004-05-01 3-formylphenylboronic acid Acta crystallographica. Section C, Crystal structure communications
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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