3,5-Dichlorophenylboronic Acid
Product Information
Molecular Formula
C6H5Cl2O2B
Molecular Weight
190.82
Description
Reactant involved in: Suzuki-Miyaura cross-coupling; Trifluoromethylation; Intramolecular aromatic carbenoid insertion of biaryldiazoacetates; Cyanation for the synthesis of aromatic nitriles; Lithiation of dihalophenyl dioxazaborocines for synthesis of functionalized dihalophenyl boronic acid.
Synonyms
(3,5-dichlorophenyl)boronic acid; (3,5-dichlorophenyl)boronic acid
IUPAC Name
(3,5-dichlorophenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1)Cl)Cl)(O)O
InChI
InChI=1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChI Key
DKYRKAIKWFHQHM-UHFFFAOYSA-N
Boiling Point
351.7 °C at 760 mmHg
Flash Point
Not applicable
Purity
98 %
Density
1.47 g/cm3
LogP
0.67320
Safety Information
Hazards
H315 - H319 - H335
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
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
124
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-113788846-A | Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof | 2021-10-27 |
| CN-113511970-A | Synthetic method of aryl-substituted alkyne | 2021-06-10 |
| CN-113285038-A | Organic electroluminescent device and electronic device | 2021-04-28 |
| CN-112939728-A | Preparation method of frainer intermediate 1, 3-dichloro-alpha- (trifluoromethyl) styrene | 2021-02-03 |
| 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-2022036188-A1 | Phd inhibitor compounds, compositions, and methods of use | 2020-08-14 |
| CN-111620882-A | Novel compound for organic electroluminescent device and application | 2020-06-12 |
| CN-111620882-B | Novel compound for organic electroluminescent device and application | 2020-06-12 |
| CN-111620883-A | Novel compound for organic electroluminescent device | 2020-06-12 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 1683 | 1975-02-01 | Insensitivity of bacterial nucleic acid biosyntheses to a morphine-like narcotic | Die Naturwissenschaften |
