4-Chlorobenzeneboronic Acid - CAS 1679-18-1
Catalog: |
BB012431 |
Product Name: |
4-Chlorobenzeneboronic Acid |
CAS: |
1679-18-1 |
Synonyms: |
(4-chlorophenyl)boronic acid; (4-chlorophenyl)boronic acid |
IUPAC Name: | (4-chlorophenyl)boronic acid |
Description: | Reagent used for: Palladium-catalyzed direct arylation; Cyclopalladation ; Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation ; Copper-mediated ligandless aerobic fluoroalkylation ; Pd-catalyzed arylative cyclization ; Ruthenium catalyzed direct arylation ; Ligand-free copper-catalyzed coupling reactions ; Regioselective arylation and alkynylation by Suzuki-Miyaura and Sonogashira cross-coupling reactions Reagent used in Preparation of ; Catalysts for Suzuki-Miyaura cross-coupling; Palladium(II) thiocarboxamide complexes as Suzuki coupling catalysts ; Biaryls by Suzuki reactions of aryl chlorides, bromides, and iodides with arylboronic acids. |
Molecular Weight: | 156.37 |
Molecular Formula: | C6H6ClO2B |
Canonical SMILES: | B(C1=CC=C(C=C1)Cl)(O)O |
InChI: | InChI=1S/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H |
InChI Key: | CAYQIZIAYYNFCS-UHFFFAOYSA-N |
Boiling Point: | 295.4 °C |
Melting Point: | 284-289 °C (lit.) |
Purity: | 95 % |
Density: | 1.32 g/cm3 |
MDL: | MFCD00039137 |
LogP: | 0.01980 |
GHS Hazard Statement: | H302 (85.71%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501772-A | Synthetic method of biphenyl-3-sulfonyl chloride derivative | 20210728 |
CN-113511970-A | Synthetic method of aryl-substituted alkyne | 20210610 |
CN-113307764-A | Compound, electron transport material, organic electroluminescent device and display device | 20210508 |
CN-113214280-A | Organic compound, and electronic device and electronic apparatus comprising same | 20210427 |
CN-113150005-A | Quinoxaline compound, preparation method and application thereof in medicine | 20210409 |
PMID | Publication Date | Title | Journal |
22133474 | 20120124 | Boronic acid library for selective, reversible near-infrared fluorescence quenching of surfactant suspended single-walled carbon nanotubes in response to glucose | ACS nano |
21936546 | 20111104 | Synthesis of functionalized cinnamaldehyde derivatives by an oxidative Heck reaction and their use as starting materials for preparation of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors | The Journal of organic chemistry |
20710065 | 20100811 | Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids | Antiviral chemistry & chemotherapy |
20594849 | 20100801 | Aryl boronic acid inhibition of synthetic melanin polymerization | Bioorganic & medicinal chemistry letters |
15281775 | 20040805 | Dabco as an inexpensive and highly efficient ligand for palladium-catalyzed Suzuki-Miyaura cross-coupling reaction | Organic letters |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.0149373 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.0149373 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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