3-Formyl-2-methoxyphenylboronic acid - CAS 480424-49-5
Catalog: |
BB026452 |
Product Name: |
3-Formyl-2-methoxyphenylboronic acid |
CAS: |
480424-49-5 |
Synonyms: |
(3-formyl-2-methoxyphenyl)boronic acid |
IUPAC Name: | (3-formyl-2-methoxyphenyl)boronic acid |
Description: | Reactant for: Preparation of formyl-substituted aryl MIDA boronates; Preparation of indolylamino phenylthienopyridine carbonitrile PKCθ inhibitors. |
Molecular Weight: | 179.97 |
Molecular Formula: | C8H9BO4 |
Canonical SMILES: | B(C1=C(C(=CC=C1)C=O)OC)(O)O |
InChI: | InChI=1S/C8H9BO4/c1-13-8-6(5-10)3-2-4-7(8)9(11)12/h2-5,11-12H,1H3 |
InChI Key: | DUROSIJIMLRFHR-UHFFFAOYSA-N |
Boiling Point: | 407.7 °C at 760 mmHg |
Melting Point: | 124-128 °C |
Purity: | 97 % |
Density: | 1.25 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD08689486 |
LogP: | -0.81250 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021050688-A1 | Compounds and uses thereof | 20190910 |
JP-6884020-B2 | Non-aqueous electrolyte for batteries and lithium secondary battery | 20170330 |
JP-2016095965-A | Non-aqueous electrolyte, power storage device including the same, and power storage device including the power storage device | 20141113 |
JP-2016056131-A | Method for producing carbon-carbon coupling product using solid catalyst | 20140910 |
CA-2789200-A1 | Pharmaceutically active disubstituted triazine derivatives | 20100322 |
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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