3-Formyl-4-methoxyphenylboronic acid - CAS 121124-97-8
Catalog: |
BB005037 |
Product Name: |
3-Formyl-4-methoxyphenylboronic acid |
CAS: |
121124-97-8 |
Synonyms: |
(3-formyl-4-methoxyphenyl)boronic acid |
IUPAC Name: | (3-formyl-4-methoxyphenyl)boronic acid |
Description: | Reactant for: Copper(I)-mediated cyanation; Suzuki-Miyaura cross-coupling reactions; Preparation of biologically and pharmacologically active molecules. |
Molecular Weight: | 179.97 |
Molecular Formula: | C8H9BO4 |
Canonical SMILES: | B(C1=CC(=C(C=C1)OC)C=O)(O)O |
InChI: | InChI=1S/C8H9BO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5,11-12H,1H3 |
InChI Key: | YJQDBKGGRPJSOI-UHFFFAOYSA-N |
Boiling Point: | 394.8 °C at 760 mmHg |
Melting Point: | 214-217 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 98 % |
Density: | 1.25 g/cm3 |
MDL: | MFCD02093661 |
LogP: | -0.81250 |
GHS Hazard Statement: | H314 (88.37%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
20710065 | 20100811 | Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids | Antiviral chemistry & chemotherapy |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0593889 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0593889 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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