2,4,6-Trifluorophenylboronic Acid - CAS 182482-25-3
Catalog: |
BB014003 |
Product Name: |
2,4,6-Trifluorophenylboronic Acid |
CAS: |
182482-25-3 |
Synonyms: |
(2,4,6-trifluorophenyl)boronic acid; (2,4,6-trifluorophenyl)boronic acid |
IUPAC Name: | (2,4,6-trifluorophenyl)boronic acid |
Description: | Reactant involved in: Synthesis of phenylboronic catechol esters; Suzuki-Miyaura coupling reactions with aryl chlorides and unstable polyfluorophenyl; Enantioselective borane reduction of trifluoroacetophenone; Transmetalation. |
Molecular Weight: | 175.90 |
Molecular Formula: | C6H4F3O2B |
Canonical SMILES: | B(C1=C(C=C(C=C1F)F)F)(O)O |
InChI: | InChI=1S/C6H4BF3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H |
InChI Key: | IPEIGKHHSZFAEW-UHFFFAOYSA-N |
Boiling Point: | 236 °C at 760 mmHg |
Melting Point: | 228-235 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.44 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | Solid |
MDL: | MFCD01863169 |
LogP: | -0.21630 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
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PMID | Publication Date | Title | Journal |
22704378 | 20120706 | Organoboron compounds as Lewis acid receptors of fluoride ions in polymeric membranes | Analytica chimica acta |
14737544 | 20040121 | Synthesis and structural characterization of the first unsymmetrical diarylpalladium complex trans-Pd(C6F5)(2,4,6-C6F3H2)(PEt3)2, derived from transmetallation between 2,4,6-trifluorophenylboronic acid and trans-Pd(C6F5)I(PEt3)2 | Chemical communications (Cambridge, England) |
14684290 | 20040105 | 3-Methoxycarbonyl-5-nitrophenyl boronic acid: high affinity diol recognition at neutral pH | Bioorganic & medicinal chemistry letters |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.0256440 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.0256440 |
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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