3,4-Dichlorophenylboronic Acid - CAS 151169-75-4
Catalog: |
BB010637 |
Product Name: |
3,4-Dichlorophenylboronic Acid |
CAS: |
151169-75-4 |
Synonyms: |
(3,4-dichlorophenyl)boronic acid; (3,4-dichlorophenyl)boronic acid |
IUPAC Name: | (3,4-dichlorophenyl)boronic acid |
Description: | Reactant involved in: Lithiation/borylation-protodeboronation of homoallyl carbamates; Suzuki coupling reactions. Precursor / reactant involved in synthesis of biologically active molecules including: Mycobacterium tuberculosis H37Rv chorismate mutase inhibitors; Pyrrole derivatives as PDE4B inhibitors; Nitrovinyl biphenyls as anticancer agents; Dual immunosuppressive and anti-inflammatory agents; Pyrazolopyrimidines as Cryptosporidium and Toxoplasma CDPK1 inhibitors. |
Molecular Weight: | 190.82 |
Molecular Formula: | C6H5Cl2O2B |
Canonical SMILES: | B(C1=CC(=C(C=C1)Cl)Cl)(O)O |
InChI: | InChI=1S/C6H5BCl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H |
InChI Key: | JKIGHOARKAIPJI-UHFFFAOYSA-N |
Boiling Point: | 339.2 °C at 760 mmHg |
Melting Point: | 280-285 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.47 g/cm3 |
MDL: | MFCD01074646 |
LogP: | 0.67320 |
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-113149908-A | Bixafen synthesis method based on Suzuki reaction | 20210408 |
CN-112038497-A | Quantum dot light-emitting device, manufacturing method thereof and quantum dot display device | 20200915 |
CN-111423353-A | Polysubstituted N-arylpyrrole compound and preparation method thereof | 20200429 |
CN-111995533-A | Nitrogen-containing compound, electronic component, and electronic device | 20200427 |
CN-111675626-A | Ionone alkaloid derivative and medical application thereof | 20200319 |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.9759650 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.9759650 |
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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