HuagongsheHuagongshe Chemistry Print Report · For research reference only
(6-Phenyldibenzo[b,d]furan-4-yl)boronic acid
6-phenyldibenzofuran-4-boronic acid · BDPFR-B · B-(6-phenyl-4-dibenzofuranyl)-Boronic acid · (6-phenyldibenzo[b,d]furan-4-yl)boronic acid · Boronic acid, B-(6-phenyl-4-dibenzofuranyl)- · (6-phenyl-4a,9b-dihydrodibenzo[b,d]furan-4-yl)boronic acid · (6-Phenyldibenzo[b,d]furan-4-yl)boronic acid(Contains varying amounts of anhydride)
![(6-Phenyldibenzo[b,d]furan-4-yl)boronic acid molecular structure](/img/chemical/89556926.png)
Identifiers & Physical Properties
| CAS No. | 1010068-85-5 |
|---|---|
| Molecular formula | C18H13BO3 |
| Average molar mass | 288.1 g/mol |
| Monoisotopic mass | 288.09577468 g/mol |
| SMILES | OB(O)c1cccc2c1oc1c(-c3ccccc3)cccc12 |
| InChIKey | UYZXLKMREZFZPU-UHFFFAOYSA-N |
| PubChem CID | 89556926 |
| DTXSID | DTXSID001269396 |
Chemical & Physical Properties
| Topological polar surface area | 53.6 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 383 |
| Boiling point | 543.1±42.0 °C(Predicted) |
| Density | 1.33±0.1 g/cm3(Predicted) |
| Storage conditions | Store at room temperature |
| pKa (acidity coefficient) | 8.00±0.30(Predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C18H13BO3/c20-19(21)16-11-5-10-15-14-9-4-8-13(17(14)22-18(15)16)12-6-2-1-3-7-12/h1-11,20-21H |
| InChIKey | UYZXLKMREZFZPU-UHFFFAOYSA-N |
| SMILES | B(C1=C2C(=CC=C1)C1=CC=CC(C3=CC=CC=C3)=C1O2)(O)O |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
Applications & Uses
Uses
B-(6-phenyl-4-dibenzofuranyl)-Boronic acid is used as an organic reagent in organic synthesis and experimental research.