Benzeneboronic Acid - CAS 98-80-6
Catalog: |
BB042218 |
Product Name: |
Benzeneboronic Acid |
CAS: |
98-80-6 |
Synonyms: |
phenylboronic acid; phenylboronic acid |
IUPAC Name: | phenylboronic acid |
Description: | Phenylboronic acid may be employed in the following reactions: Rhodium-catalyzed intramolecular amination; Pd-catalyzed direct arylation ; Mizoroki-Heck and Suzuki-Miyaura coupling reactions catalyzed by palladium nanoparticles ; Palladium-catalyzed stereoselective Heck-type reaction; Highly effective Palladium-catalyzed arylation Suzuki-Miyaura cross-coupling in water. Phenylboronic acid may be employed as reagent in the preparation of: Ni(II) pincer complex and Pd(II) pyridoxal hydrazone metallacycles as catalysts for the Suzuki-Miyaura cross-coupling reactions; N-type polymers for all-polymer solar cells; Novel series of potent and selective mTOR kinase inhibitors; Inhibitors of lactate dehydrogenase against cancer cell proliferation. |
Molecular Weight: | 121.93 |
Molecular Formula: | C6H7O2B |
Canonical SMILES: | B(C1=CC=CC=C1)(O)O |
InChI: | InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H |
InChI Key: | HXITXNWTGFUOAU-UHFFFAOYSA-N |
Boiling Point: | 265.9 °C at 760 mmHg |
Melting Point: | 216-219 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 97.0 % (HPLC) |
Density: | 1.13 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00002103 |
LogP: | -0.63360 |
Vapor Pressure: | 0.00000856 [mmHg] |
GHS Hazard Statement: | H302 (93.07%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2016272588-A1 | Usp7 inhibitor compounds and methods of use | 20150320 |
US-2016264518-A1 | Alpha-cinnamide compounds and compositions as hdac8 inhibitors | 20150313 |
US-2016257633-A1 | Processes for preparing (r)-1-(5-chloro-[1,1`-biphenyl]-2-yl)-2,2,2-trifluoroethanol and 1-(5-chloro-[1,1`-biphenyl]-2-yl)-2,2,2-trifluoroethanone | 20150305 |
US-2016251361-A1 | Imidazopyrimidine and imidazotriazine derivative, and pharmaceutical composition comprising the same | 20150226 |
US-2016244449-A1 | Bicyclic heterocycles as fgfr4 inhibitors | 20150220 |
PMID | Publication Date | Title | Journal |
26025252 | 20150501 | Phenylboronic Acid Solid Phase Extraction Cleanup and Isotope Dilution Liquid Chromatography-Tandem Mass Spectrometry for the Determination of Florfenicol Amine in Fish Muscles | Journal of AOAC International |
22796889 | 20121101 | Emergence of NDM-1- and IMP-14a-producing Enterobacteriaceae in Thailand | The Journal of antimicrobial chemotherapy |
22842351 | 20121101 | The synthesis, crystal structure and enhanced blue fluorescence emission of novel antipyrine derivatives | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22978786 | 20121024 | A structure-function relationship for the optical modulation of phenyl boronic acid-grafted, polyethylene glycol-wrapped single-walled carbon nanotubes | Journal of the American Chemical Society |
22907668 | 20121022 | A phenylboronate-functionalized polyion complex micelle for ATP-triggered release of siRNA | Angewandte Chemie (International ed. in English) |
Complexity: | 79.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.0539096 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.0539096 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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