3-Chlorophenylboronic Acid
Product Information
Molecular Formula
C6H6ClO2B
Molecular Weight
156.37
Description
Reactant involved in: 1,4-conjugate addition reactions with ethenesulfonamides to form arylethanesulfonamides; Suzuki-Miyaura reactions with dibromotrifluoromethylbenzene; Cross-coupling reactions with diazoesters or potassium cyanate; Synthesis of biarylketones and phthalides; Synthesis of inhibitors including PDE4 inhibitors among others.
Synonyms
(3-chlorophenyl)boronic acid; (3-chlorophenyl)boronic acid
IUPAC Name
(3-chlorophenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)Cl)(O)O
InChI
InChI=1S/C6H6BClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChI Key
SDEAGACSNFSZCU-UHFFFAOYSA-N
Boiling Point
311.4 °C at 760 mmHg
Melting Point
185-189 °C (lit.)
Flash Point
Not applicable
Purity
99 %
Density
1.32 ± 0.1 g/mL (predicted)
Appearance
White powder
LogP
0.01980
Safety Information
Hazards
H302 + H312 + H332
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
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
156.0149373 g/mol
Monoisotopic Mass
156.0149373 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
110
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-114163381-A | Method for synthesizing (2, 6-diphenylpyridine-3, 5-diacyl) bis (benzophenone) and derivatives thereof | 2021-12-01 |
| CN-114016060-A | Synthetic method of phenolic compound | 2021-11-23 |
| KR-102352823-B1 | Novel heterocyclic compound and organic light emitting device comprising the same | 2021-11-17 |
| CN-113929635-A | 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof | 2021-11-09 |
| CN-113788846-A | Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof | 2021-10-27 |
| CN-114075166-A | Organic compound, and electronic element and electronic device using same | 2021-08-25 |
| KR-102324529-B1 | Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof | 2021-07-05 |
| CN-114075216-A | Organic compound, electronic element, and electronic device | 2021-06-23 |
| CN-113511970-A | Synthetic method of aryl-substituted alkyne | 2021-06-10 |
| CN-113421980-A | Organic electroluminescent device and electronic apparatus including the same | 2021-06-02 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22090926 | 2011-08-01 | 2-(4-Chloro-phen-yl)naphtho-[1,8-de][1,3,2]diaza-borinane | Acta crystallographica. Section E, Structure reports online |
