3-(Trifluoromethyl)phenylboronic Acid - CAS 1423-26-3
Catalog: |
BB009355 |
Product Name: |
3-(Trifluoromethyl)phenylboronic Acid |
CAS: |
1423-26-3 |
Synonyms: |
[3-(trifluoromethyl)phenyl]boronic acid; [3-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [3-(trifluoromethyl)phenyl]boronic acid |
Description: | Reactant involved in: Suzuki-Miyaura cross-coupling reactions; Aerobic oxidative cross-coupling; Microwave-assisted Petasis reactions; Rhodium-catalyzed addition reactions; Syntehsis of biologically active molecules. |
Molecular Weight: | 189.93 |
Molecular Formula: | C7H6F3O2B |
Canonical SMILES: | B(C1=CC(=CC=C1)C(F)(F)F)(O)O |
InChI: | InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H |
InChI Key: | WOAORAPRPVIATR-UHFFFAOYSA-N |
Boiling Point: | 274.5 °C at 760 mmHg |
Melting Point: | 163-166 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.36 g/cm3 |
MDL: | MFCD00151854 |
LogP: | 0.38520 |
GHS Hazard Statement: | H315 (99%): 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 |
18983140 | 20081127 | Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase | Journal of medicinal chemistry |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.0412941 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.0412941 |
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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