2-Fluoro-4-methylphenylboronic Acid - CAS 170981-26-7
Catalog: |
BB012693 |
Product Name: |
2-Fluoro-4-methylphenylboronic Acid |
CAS: |
170981-26-7 |
Synonyms: |
(2-fluoro-4-methylphenyl)boronic acid; (2-fluoro-4-methylphenyl)boronic acid |
IUPAC Name: | (2-fluoro-4-methylphenyl)boronic acid |
Description: | Reactant for: Water-accelerated Pd-Catalyzed Suzuki-Miyaura coupling. |
Molecular Weight: | 153.95 |
Molecular Formula: | C7H8FO2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C)F)(O)O |
InChI: | InChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3 |
InChI Key: | LIXXGOMAGHXIMP-UHFFFAOYSA-N |
Melting Point: | 228-233 °C (lit.) |
Purity: | ≥ 95 % |
Appearance: | White to light brown powder or fibers |
MDL: | MFCD05664239 |
LogP: | -0.18610 |
GHS Hazard Statement: | H302 (33.33%): 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 |
20669927 | 20101111 | Medicinal chemistry as a conduit for the modulation of quorum sensing | Journal of medicinal chemistry |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0601378 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0601378 |
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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