4-Fluorophenylboronic Acid - CAS 1765-93-1
Catalog: |
BB013234 |
Product Name: |
4-Fluorophenylboronic Acid |
CAS: |
1765-93-1 |
Synonyms: |
(4-fluorophenyl)boronic acid; (4-fluorophenyl)boronic acid |
IUPAC Name: | (4-fluorophenyl)boronic acid |
Description: | Reagent used for: Suzuki coupling using microwave and triton B catalyst ; Pd-catalyzed direct arylation of pyrazoles with phenylboronic acids ; Mizoroki-Heck and Suzuki-Miyaura coupling reactions catalyzed by palladium nanoparticles ; Cu-catalyzed Petasis reactions ; Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation sequence ; Ruthenium catalyzed direct arylation ; Rh-catalyzed asymmetric conjugate additions ; Ligand-free copper-catalyzed coupling of nitro arenes with arylboronic acids ; Regioselective arylation and alkynylation by Suzuki-Miyaura and Sonogashira cross-coupling reactions. |
Molecular Weight: | 139.92 |
Molecular Formula: | C6H6FO2B |
Canonical SMILES: | B(C1=CC=C(C=C1)F)(O)O |
InChI: | InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H |
InChI Key: | LBUNNMJLXWQQBY-UHFFFAOYSA-N |
Boiling Point: | 258.4 °C at 760 mmHg |
Melting Point: | 262-265 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.24 g/cm3 |
MDL: | MFCD00039136 |
LogP: | -0.49450 |
GHS Hazard Statement: | H302 (86.54%): 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 |
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PMID | Publication Date | Title | Journal |
21893175 | 20120425 | Simultaneous determination of five synthetic pyrethroid metabolites in urine by liquid chromatography-tandem mass spectrometry: application to 39 persons without known exposure to pyrethroids | Toxicology letters |
21837003 | 20110701 | 1,8-Bis(4-fluoro-phen-yl)naphthalene | Acta crystallographica. Section E, Structure reports online |
20710065 | 20100811 | Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids | Antiviral chemistry & chemotherapy |
20594849 | 20100801 | Aryl boronic acid inhibition of synthetic melanin polymerization | Bioorganic & medicinal chemistry letters |
18983140 | 20081127 | Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase | Journal of medicinal chemistry |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.0444878 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.0444878 |
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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