2,4-Dichlorophenylboronic Acid - CAS 68716-47-2
Catalog: |
BB033615 |
Product Name: |
2,4-Dichlorophenylboronic Acid |
CAS: |
68716-47-2 |
Synonyms: |
(2,4-dichlorophenyl)boronic acid; (2,4-dichlorophenyl)boronic acid |
IUPAC Name: | (2,4-dichlorophenyl)boronic acid |
Description: | Reactant involved in: Suzuki coupling reactions with alkynyl bromides or aniline / thiophenol ; Selective hydroxylation to phenols. Reactant involved in synthesis of biologically active molecules including: N-hydroxyindole-2-carboxylates for use as lactate dehydrogenase inhibitors; Non-ATP competitive MK2 inhibitors. |
Molecular Weight: | 190.82 |
Molecular Formula: | C6H5Cl2O2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)Cl)Cl)(O)O |
InChI: | InChI=1S/C6H5BCl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H |
InChI Key: | QNEGDGPAXKYZHZ-UHFFFAOYSA-N |
Boiling Point: | 331.3 °C at 760 mmHg |
Melting Point: | 246-249 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.47 g/cm3 |
MDL: | MFCD00013930 |
LogP: | 0.67320 |
GHS Hazard Statement: | H302 (22.22%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113150005-A | Quinoxaline compound, preparation method and application thereof in medicine | 20210409 |
CN-112375002-A | 2,4, 7-trisubstituted fluorene compound and electronic device thereof | 20210118 |
CN-112375002-B | 2,4, 7-trisubstituted fluorene compound and electronic device thereof | 20210118 |
CN-112011052-A | Functional boron-containing polyarylene sulfide copolymer and preparation method thereof | 20200911 |
KR-20210122404-A | Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof | 20200331 |
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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