2,3-Dichlorophenylboronic Acid
Product Information
Molecular Formula
C6H5Cl2O2B
Molecular Weight
190.82
Description
Reactant for: Suzuki-Miyaura coupling reactions; Preparation of biologically and pharmacologically active molecules.
Synonyms
(2,3-dichlorophenyl)boronic acid; (2,3-dichlorophenyl)boronic acid
IUPAC Name
(2,3-dichlorophenyl)boronic acid
SMILES
B(C1=C(C(=CC=C1)Cl)Cl)(O)O
InChI
InChI=1S/C6H5BCl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
InChI Key
TYIKXPOMOYDGCS-UHFFFAOYSA-N
Boiling Point
349.8 °C at 760 mmHg
Melting Point
125 °C (dec.) (lit.)
Flash Point
Not applicable
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-113248449-A | Aryl spiro-compound containing formamidine and preparation method and application thereof | 2021-05-06 |
| CN-113150005-A | Quinoxaline compound, preparation method and application thereof in medicine | 2021-04-09 |
| WO-2022033430-A1 | Heterotricyclic compound, preparation method therefor and use thereof | 2020-08-10 |
| WO-2022007869-A1 | Pyridine or pyrimidine derivative and preparation method therefor and use thereof | 2020-07-10 |
| CN-111393459-A | SHP2 inhibitor and application thereof | 2020-04-16 |
| WO-2021211864-A1 | Fused tricyclic kras inhibitors | 2020-04-16 |
| US-2021355121-A1 | Fused tricyclic kras inhibitors | 2020-04-16 |
| WO-2021204930-A1 | Substituted condensed azines as anthelmintic compounds | 2020-04-09 |
| CN-111171721-A | Ceramizable ablation-resistant coating and preparation method thereof | 2020-01-22 |
| WO-2021143680-A1 | Heteroaryl derivative, preparation method therefor, and use thereof | 2020-01-16 |
