2,4-Dichlorophenylboronic Acid
Product Information
Molecular Formula
C6H5Cl2O2B
Molecular Weight
190.82
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.
Synonyms
(2,4-dichlorophenyl)boronic acid; (2,4-dichlorophenyl)boronic acid
IUPAC Name
(2,4-dichlorophenyl)boronic acid
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
LogP
0.67320
Safety Information
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
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
189.9759650 g/mol
Monoisotopic Mass
189.9759650 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
134
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113929635-A | 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof | 2021-11-09 |
| CN-113150005-A | Quinoxaline compound, preparation method and application thereof in medicine | 2021-04-09 |
| CN-112375002-A | 2,4, 7-trisubstituted fluorene compound and electronic device thereof | 2021-01-18 |
| CN-112375002-B | 2,4, 7-trisubstituted fluorene compound and electronic device thereof | 2021-01-18 |
| CN-112011052-A | Functional boron-containing polyarylene sulfide copolymer and preparation method thereof | 2020-09-11 |
| CN-112011052-B | Functional boron-containing polyarylene sulfide copolymer and preparation method thereof | 2020-09-11 |
| WO-2022049134-A1 | Heterocyclic compounds | 2020-09-03 |
| WO-2022038116-A1 | N-hydroxycarboxamide derivatives useful as inhibitors of mammalian histone deacetylase activity | 2020-08-19 |
| WO-2022032071-A1 | Kinase inhibitors and uses thereof | 2020-08-07 |
| WO-2022008732-A1 | Enhancing the activity of antimicrobial preservatives | 2020-07-10 |
