4-Carboxybenzeneboronic Acid - CAS 14047-29-1
Catalog: |
BB009080 |
Product Name: |
4-Carboxybenzeneboronic Acid |
CAS: |
14047-29-1 |
Synonyms: |
4-boronobenzoic acid; 4-boronobenzoic acid |
IUPAC Name: | 4-boronobenzoic acid |
Description: | Reactant involved in: Condensation reactions with stabilizer chains at the surface of polystyrene latex; Suzuki coupling reactions; Esterification; Derivatization of polyvinylamine; Synthesis of isotopically labeled mercury; Functionalization of poly-SiNW for detection of dopamine Reagent used for: Suzuki-Miyaura cross-coupling; Induction of pH sensitivity on fluorescence lifetime of quantum dots by NIR fluorescent dyes ; Bio-supported palladium nanoparticles as phosphine-free catalyst for Suzuki reaction in water ; Chan-Lam-type Copper (Cu)-catalyzed S-arylation with aryl boronic acids at room temperatureReagent used in Preparation of; Isoquinolones via regioselective Suzuki-Miyaura cross-coupling and tandem palladium-catalyzed intramolecular aminocarbonylation and annulation; Amprenavir-based P1-substituted bi-aryl derivatives as ultra-potent HIV-1 protease inhibitors ; Phenols via visible-light initiated aerobic oxidative hydroxylation of arylboronic acids using air as oxidant catalyzed by Ruthenium (Ru)-complex; Glucose sensitive boronic acid-bearing block copolymers; Trisulfonated calixarene upper-rim sulfonamido derivatives and their complexation with the trimethyllysine epigenetic mark. |
Molecular Weight: | 165.94 |
Molecular Formula: | C7H7O4B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(=O)O)(O)O |
InChI: | InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10) |
InChI Key: | SIAVMDKGVRXFAX-UHFFFAOYSA-N |
Boiling Point: | 325.1 °C at 760 mmHg |
Melting Point: | 220 °C (dec.) (lit.) |
Flash Point: | Not applicable |
Density: | 1.3 g/cm3 |
Appearance: | Powder |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00151801 |
LogP: | -0.93540 |
GHS Hazard Statement: | H302 (23.53%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22204384 | 20120207 | Polypyrrole-palladium nanocomposite coating of micrometer-sized polymer particles toward a recyclable catalyst | Langmuir : the ACS journal of surfaces and colloids |
21543232 | 20111201 | Biological evaluation of dopamine analogues containing phenylboronic acid group as new boron carriers | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine |
21782864 | 20111030 | Role of boronic acid moieties in poly(amido amine)s for gene delivery | Journal of controlled release : official journal of the Controlled Release Society |
20855189 | 20101115 | 5×5 CMOS capacitive sensor array for detection of the neurotransmitter dopamine | Biosensors & bioelectronics |
20452208 | 20100601 | Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0437389 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0437389 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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