3-(Trifluoromethoxy)phenylboronic Acid - CAS 179113-90-7
Catalog: |
BB013545 |
Product Name: |
3-(Trifluoromethoxy)phenylboronic Acid |
CAS: |
179113-90-7 |
Synonyms: |
[3-(trifluoromethoxy)phenyl]boronic acid; [3-(trifluoromethoxy)phenyl]boronic acid |
IUPAC Name: | [3-(trifluoromethoxy)phenyl]boronic acid |
Description: | Precursor commonly used in the synthesis of biologically active compounds including: Multisubstituted purines for use as P2X7 antagonists in the treatment of pain; Heteroaryl substituted tetrahydropyrroloijquinolinone derivatives as aldosterone synthase inhibitors; Fluorohydroquinolineethanol as a CETP inhibitor; Biaryl amides with muscarinic acetylcholine receptor subtype M1 agonist activity; C2-aryl pyrrolobenzodiasepine antitumor agents; Piperazine-bisamide for obesity treatments. |
Molecular Weight: | 205.93 |
Molecular Formula: | C7H6F3O3B |
Canonical SMILES: | B(C1=CC(=CC=C1)OC(F)(F)F)(O)O |
InChI: | InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H |
InChI Key: | UWDFWVLAHRQSKK-UHFFFAOYSA-N |
Melting Point: | 84-89 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
MDL: | MFCD01320697 |
LogP: | 0.26500 |
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 |
Publication Number | Title | Priority Date |
WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 20200326 |
WO-2021130732-A1 | Antibacterial quinolines | 20191227 |
WO-2021064571-A1 | N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication | 20191001 |
WO-2021063914-A1 | 4-quinolinone antibacterial compounds | 20190930 |
US-2021094973-A1 | Heterocyclic compounds | 20190924 |
PMID | Publication Date | Title | Journal |
15545427 | 20041101 | Geobacillus gargensis sp. nov., a novel thermophile from a hot spring, and the reclassification of Bacillus vulcani as Geobacillus vulcani comb. nov | International journal of systematic and evolutionary microbiology |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.0362087 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.0362087 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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