HuagongsheHuagongshe Chemistry Print Report · For research reference only
Bis[2-(diphenylphosphino)phenyl] ether
DPEPHOS · BIS(2-DIPHENYLPHOSPHINOPHENYL)ETHER · (Oxybis(2,1-phenylene))bis(diphenylphosphine) · 1-(diphenylphosphino)-2-(2-(diphenylphosphino)phenoxy)benzene · DK994 · Bis(2-diphenyphosphinophenyl)ether · {2-[2-(di · ene)bis(diphenyL
![Bis[2-(diphenylphosphino)phenyl] ether molecular structure](/img/chemical/4285986.png)
Identifiers & Physical Properties
| CAS No. | 166330-10-5 |
|---|---|
| Molecular formula | C36H28OP2 |
| Average molar mass | 538.6 g/mol |
| Monoisotopic mass | 538.16153878 g/mol |
| SMILES | c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1 |
| InChIKey | RYXZOQOZERSHHQ-UHFFFAOYSA-N |
| PubChem CID | 4285986 |
| DTXSID | DTXSID20401575 |
Chemical & Physical Properties
| XLogP | 8.8 |
|---|---|
| Topological polar surface area | 9.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 8 |
| Heavy atoms | 39 |
| Formal charge | 0 |
| Complexity | 594 |
| Melting point | 184-187 °C (lit.) |
| Boiling point | 608.2±40.0 °C(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Crystalline Powder or Crystals |
| Color | White to off-white |
| BRN | 7729718 |
| InChI | InChI=1S/C36H28OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H |
| InChIKey | RYXZOQOZERSHHQ-UHFFFAOYSA-N |
| SMILES | C1C=CC(OC2C=CC=CC=2P(C2=CC=CC=C2)C2C=CC=CC=2)=C(P(C2C=CC=CC=2)C2=CC=CC=C2)C=1 |
| CAS DataBase Reference | 166330-10-5(CAS DataBase Reference) |
| UNSPSC Code | 12352112 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xn |
| Risk statements (R) | 36/37/38-22 |
| Safety statements (S) | 37/39-26 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | No |
| Customs code | 29319090 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
|---|---|
| Water hazard class (WGK) | 3 |
| TSCA inventory status | No |
| Customs code | 29319090 |
| Risk statements (R) | 36/37/38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 37/39-26 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
suzuki reaction
Uses
Ligand for ruthenium-catalyzed greener amine synthesis from amines and alcohols by hydrogen-borrowing.Ruthenium-Catalyzed N-Alkylation of Amines and Sulfonamides Using Borrowing Hydrogen Methodology
General Description
This product has been enhanced for catalytic efficiency.