2-Fluorophenylboronic Acid - CAS 1993-03-9
Catalog: |
BB015386 |
Product Name: |
2-Fluorophenylboronic Acid |
CAS: |
1993-03-9 |
Synonyms: |
(2-fluorophenyl)boronic acid; (2-fluorophenyl)boronic acid |
IUPAC Name: | (2-fluorophenyl)boronic acid |
Description: | Reactant for: Preparation of phenylboronic catechol esters as promising anion receptors for polymer electrolytes; Diastereoselective synthesis of trisubstituted allylic alcohols via rhodium-catalyzed arylation; Site-selective Suzuki-Miyaura arylation reactions; Rh-catalyzed enantioselective addition reactions; Rhodium- and Palladium-catalyzed substitution reactions. Used for the preparation of biologically active biphenyls and arylboron difluoride Lewis acids. |
Molecular Weight: | 139.92 |
Molecular Formula: | C6H6FO2B |
Canonical SMILES: | B(C1=CC=CC=C1F)(O)O |
InChI: | InChI=1S/C6H6BFO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H |
InChI Key: | QCSLIRFWJPOENV-UHFFFAOYSA-N |
Melting Point: | 101-110 ℃ (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
MDL: | MFCD00674013 |
LogP: | -0.49450 |
GHS Hazard Statement: | H315 (90%): 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 |
Publication Number | Title | Priority Date |
JP-2021152084-A | Pest control method | 20210702 |
CN-113150005-A | Quinoxaline compound, preparation method and application thereof in medicine | 20210409 |
CN-112939864-A | Spiro [ benzo [ c ] aza-1, 1' -cyclohexyl ] -3-ones | 20210129 |
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CN-112687878-A | Electrochemical device and electronic device | 20201225 |
PMID | Publication Date | Title | Journal |
18983140 | 20081127 | Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase | Journal of medicinal chemistry |
Complexity: | 110 |
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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