2-(Trifluoromethoxy)phenylboronic Acid - CAS 175676-65-0
Catalog: |
BB013155 |
Product Name: |
2-(Trifluoromethoxy)phenylboronic Acid |
CAS: |
175676-65-0 |
Synonyms: |
[2-(trifluoromethoxy)phenyl]boronic acid; [2-(trifluoromethoxy)phenyl]boronic acid |
IUPAC Name: | [2-(trifluoromethoxy)phenyl]boronic acid |
Description: | Reactant for: Preparation of imidazo[1,5-a]pyrido[3,2-e]pyrazines and imidazo[1,5-a]quinoxalines as orally active phosphodiesterase 10A inhibitors; Suzuki-Miyaura cross-coupling reactions; Preparation of 3-(5-arylbenzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]decenes as transient receptor potential melastatin 8 antagonists; Preparation of biaryl pyrazole carboxamides as sodium channel blockers for treatment of neuropathic pain; Preparation of biaryl oxazoles, imidazoles and thiazoles via condensations as sodium channel blockers and CYP inhibitors for treatment of neuropathic pain. |
Molecular Weight: | 205.93 |
Molecular Formula: | C7H6F3O3B |
Canonical SMILES: | B(C1=CC=CC=C1OC(F)(F)F)(O)O |
InChI: | InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-4-2-1-3-5(6)8(12)13/h1-4,12-13H |
InChI Key: | AIJCNTOYZPKURP-UHFFFAOYSA-N |
Boiling Point: | 267.2 °C at 760 mmHg |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.41 g/cm3 |
MDL: | MFCD01320763 |
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 |
CN-112687878-A | Electrochemical device and electronic device | 20201225 |
WO-2021130732-A1 | Antibacterial quinolines | 20191227 |
US-2021107889-A1 | 2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
WO-2021063914-A1 | 4-quinolinone antibacterial compounds | 20190930 |
WO-2020257429-A1 | Ectonucleotidase inhibitors and methods of use thereof | 20190620 |
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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