Dicyclohexylphenylphosphine tetrafluoroborate CAS#: 161054-07-5; ChemWhat Code: 1490172
Identification
| Product Name | Dicyclohexylphenylphosphine tetrafluoroborate CAS#: 161054-07-5 |
| IUPAC Name | dicyclohexyl(phenyl)phosphane;tetrafluoroborate |
| Molecular Structure |  |
| CAS Registry Number | 161054-07-5 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | dicyclohexyl((1,1′:3′,1”-terbenzene)-5′-yl)phosphonium tetrafluoroboratedicyclohexyl((1,1′:3′,1”-terphenyl)-5′-yl)phosphonium tetrafluoroborate |
| Molecular Formula | C18H27BF4P |
| Molecular Weight | 362.20 |
| InChI | InChI=1S/C18H27P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2;/q;-1 |
| InChI Key | ZVXPXEISQRDKRF-UHFFFAOYSA-N |
| Canonical SMILES | [B-](F)(F)(F)F.C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3 |
| Patent Information | |
| No data available |
Physical Data
| Appearance | White to Off-white crystalline powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
Spectra
| No data available |
Route of Synthesis (ROS)
| No data available |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | NONH for all modes of transport |
| For short-term storage, it can be stored in a conventional sealed container (within 6 months) | |
| HS Code | 290621 |
| Storage | The product slowly oxidizes when exposed to air. For long-term storage, it needs to be vacuum packed and refrigerated (more than 2 years) |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 514.394 |
| logP | 12.439 |
| HBA | 0 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 0 |
| Rotatable Bond (RotB) | 5 |
| Matching Veber Rules | 2 |
| Use Pattern |
| The large sterically hindered phosphine ligand and its complex with the precious metal palladium are highly active C-C and C-N coupling reaction catalysts, which can efficiently catalyze the coupling reaction of aryl chloride with aryl boronic acid or aryl amine. |
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