2-Formylphenylboronic acid pinacol ester - CAS 380151-85-9
Catalog: |
BB023485 |
Product Name: |
2-Formylphenylboronic acid pinacol ester |
CAS: |
380151-85-9 |
Synonyms: |
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
IUPAC Name: | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
Description: | 2-Formylphenylboronic acid pinacol ester can be used as a starting material to prepare: Profluorescent probe applicable for the detection of H2O2 and Fe or Cu ions in living cells; Boronic acid pinacol ester derived nickel porphyrin, which is used to synthesize molecular spin switches and electron transfer dyads; Fluorescein hydrizido 2-imidophenylboronic ester, a fluorescent sensor prochelator applicable in the detection of copper ions. |
Molecular Weight: | 232.08 |
Molecular Formula: | C13H17BO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C=O |
InChI: | InChI=1S/C13H17BO3/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-9H,1-4H3 |
InChI Key: | SLJMPQLPRHIAOM-UHFFFAOYSA-N |
Boiling Point: | 345.9 °C at 760 mmHg |
Flash Point: | 230.0 °F |
Purity: | 96 % |
Density: | 1.0532 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | 2-8 °C |
MDL: | MFCD07363841 |
LogP: | 1.79830 |
Refractive Index: | n20/D 1.5143 |
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-109060739-A | A method of detection hydrogen peroxide | 20180713 |
CN-109060739-B | Method for detecting hydrogen peroxide | 20180713 |
JP-2021519316-A | Compounds as regulators of TLR2 signaling | 20180327 |
CN-105646872-A | Dynamic polymer material | 20160226 |
JP-2018506540-A | Benzooxaborol compounds and uses thereof | 20150212 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.1270746 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.1270746 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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