2,6-Dichlorophenylboronic acid
Product Information
Molecular Formula
C6H5BCl2O2
Molecular Weight
190.82
Description
2,6-Dichlorophenylboronic acid is a synthetic biological compound of boron. It is a synthetic raw material for protein kinase inhibitors and plays a role in the development of anti-cancer drugs.
Synonyms
(2,6-dichlorophenyl)boronic acid; 2,6-Dichlorobenzeneboronic Acid; (2,6-Dichlorophenyl)Boranediol; BORONIC ACID, (2,6-DICHLOROPHENYL)-; (2,6-Dichlorophenyl)boronicacid; SCHEMBL5649; 2,6-dichloro-phenylboronic acid; 2,6-dichlorophenyl boronic acid; 2,6-dichlorobenzene boronic acid; (2,6-dichlorophenyl)dihydroxyborane; 2-Methyl-3-hydroxyquinoline-4-carboxylicacid
IUPAC Name
(2,6-dichlorophenyl)boronic acid
SMILES
B(C1=C(C=CC=C1Cl)Cl)(O)O
InChI
InChI=1S/C6H5BCl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChI Key
CXDPUSMFYPQXCV-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302 - H319
Precautionary Statement
P305 + P351 + P338
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-112047971-A | Preparation method of 2, 6-dichlorobenzene boric acid | 2020-10-10 |
| CN-113754698-A | Organic electroluminescent material and device | 2020-06-02 |
| KR-20210150303-A | Organic electroluminescent materials and devices | 2020-06-02 |
| US-2021388013-A1 | Organic electroluminescent materials and devices | 2020-06-02 |
| KR-20210083464-A | Organic electroluminescence device and polycyclic compound for organic electroluminescence device | 2019-12-26 |
| US-2021202861-A1 | Organic electroluminescence device and polycyclic compound for organic electroluminescence device | 2019-12-26 |
| US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 2019-12-04 |
| WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 2019-12-04 |
| WO-2021076890-A1 | INHIBITING HUMAN INTEGRIN α4β7 | 2019-10-16 |
| WO-2021076902-A1 | INHIBITING HUMAN INTEGRIN α 4 β 7 | 2019-10-16 |
