2-Phenoxyphenylboronic Acid - CAS 108238-09-1
Catalog: |
BB002208 |
Product Name: |
2-Phenoxyphenylboronic Acid |
CAS: |
108238-09-1 |
Synonyms: |
(2-phenoxyphenyl)boronic acid; (2-phenoxyphenyl)boronic acid |
IUPAC Name: | (2-phenoxyphenyl)boronic acid |
Description: | Reactant for: Palladium catalyzed cross-coupling reactions; Trifluoromethylation via copper-mediated oxidative cross-coupling; Preparation of biologically and pharmacologically active molecules; Preparation of pyridazine-based scaffolds as a-helix mimetics. |
Molecular Weight: | 214.02 |
Molecular Formula: | C12H11O3B |
Canonical SMILES: | B(C1=CC=CC=C1OC2=CC=CC=C2)(O)O |
InChI: | InChI=1S/C12H11BO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9,14-15H |
InChI Key: | AVOWPOFIQZSVGV-UHFFFAOYSA-N |
Boiling Point: | 369 °C at 760 mmHg |
Melting Point: | 104-108 °C (lit.) |
Density: | 1.23 g/cm3 |
MDL: | MFCD01001592 |
LogP: | 1.15870 |
GHS Hazard Statement: | H302 (16.67%): 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 |
Publication Number | Title | Priority Date |
CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111072696-A | Synthesis method of 2-phenoxyphenylboronic acid | 20191213 |
WO-2021094976-A1 | Diaryloxybenzoheterodiazole compounds di-substituted with thienothiophenic groups | 20191112 |
WO-2021088787-A1 | Quinazoline compound used as axl inhibitor | 20191107 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0801244 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0801244 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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