3-Hydroxyphenylboronic Acid - CAS 87199-18-6
Catalog: |
BB038329 |
Product Name: |
3-Hydroxyphenylboronic Acid |
CAS: |
87199-18-6 |
Synonyms: |
(3-hydroxyphenyl)boronic acid; (3-hydroxyphenyl)boronic acid |
IUPAC Name: | (3-hydroxyphenyl)boronic acid |
Description: | 3-Hydroxyphenylboronic acid (3-HPBA) can be used as a reagent: In Suzuki-Miyaura coupling reactions with aryl halides for the formation of C-C bond in the presence of Pd catalyst; To synthesize boron/nitrogen-doped polymer nano/microspheres by hydrothermal polymerization with formaldehyde and ammonia; To prepare carbon quantum dots based on 3-HPBA as selective fructose sensor; In the development of modified electrodes for electrochemical biosensors. |
Molecular Weight: | 137.93 |
Molecular Formula: | C6H7O3B |
Canonical SMILES: | B(C1=CC(=CC=C1)O)(O)O |
InChI: | InChI=1S/C6H7BO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8-10H |
InChI Key: | WFWQWTPAPNEOFE-UHFFFAOYSA-N |
Boiling Point: | 370 °C at 760 mmHg |
Melting Point: | 210-213 °C (dec.) (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95.0 % |
Density: | 1.32 g/cm3 |
MDL: | MFCD01074603 |
LogP: | -0.92800 |
GHS Hazard Statement: | H315 (90.91%): 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 |
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PMID | Publication Date | Title | Journal |
22302165 | 20120401 | Electrochemically synthesized polymers in molecular imprinting for chemical sensing | Analytical and bioanalytical chemistry |
21319772 | 20110307 | Synthesis of boroxine-linked aluminum complexes | Inorganic chemistry |
17712409 | 20070822 | Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype A | PloS one |
15799708 | 20050501 | An unbiased cell morphology-based screen for new, biologically active small molecules | PLoS biology |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.0488242 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.0488242 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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