HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
XANT PHOS · Xanphos · (9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphane) · 9,9-DIMETHYL-4,5-BIS(DIPHENYLPHOSPHINO)XANTHENE · Dimethylbisdiphenylphosphinoxanthene · [5-(diphenylphosphanyl)-9,9-diMethyl-9H-xanthen-4-yl]diphenylphosphane · Xanthphos · Bis(diphenylphosphino)-9,9-diMethylxanthene
Identifiers & Physical Properties
| CAS No. | 161265-03-8 |
|---|---|
| Molecular formula | C39H32OP2 |
| Average molar mass | 578.6 g/mol |
| Monoisotopic mass | 578.19283964 g/mol |
| SMILES | CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 |
| InChIKey | CXNIUSPIQKWYAI-UHFFFAOYSA-N |
| PubChem CID | 636044 |
| ChEMBL | CHEMBL6038035 |
| EC No. | 605-249-4 |
| DTXSID | DTXSID20348350 |
Chemical & Physical Properties
| XLogP | 9.7 |
|---|---|
| Topological polar surface area | 9.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 6 |
| Heavy atoms | 42 |
| Formal charge | 0 |
| Complexity | 731 |
| Melting point | 224-228 °C(lit.) |
| Boiling point | 665.7±55.0 °C(Predicted) |
| Flash point | 450℃ |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Soluble in organic solvents. |
| Physical state | Crystals |
| Color | White to light yellow |
| InChIKey | CXNIUSPIQKWYAI-UHFFFAOYSA-N |
| SMILES | C12=C(OC3=C(C1(C)C)C=CC=C3P(C1C=CC=CC=1)C1C=CC=CC=1)C(P(C1C=CC=CC=1)C1C=CC=CC=1)=CC=C2 |
| CAS DataBase Reference | 161265-03-8(CAS DataBase Reference) |
| FDA UNII | NMU72MOG9B |
| UNSPSC Code | 12352005 |
| NACRES | NA.82 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xn |
| Risk statements (R) | 37-20/22 |
| Safety statements (S) | 37/39-26 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | No |
| Customs code | 29319090 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 2.2% (2 of 90) of reports.WarningH315 (54.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (96.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 90 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 90 reports by companies.There are 17 notifications provided by 88 of 90 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (54.4%)Eye Irrit. 2 (96.7%)STOT SE 3 (95.6%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | No |
| Customs code | 29319090 |
| Risk statements (R) | 37-20/22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 37/39-26 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
suzuki reaction
Uses
1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenyl-phosphine is an organophosphorus compound derived from the heterocycle xanthene. It is used as a bidentate ligand and is noteworthy for having a particularly wide bite angle. Such ligands are useful in the hydroformylation of alkenes.
Uses
4,5-Bis(diphenylphosphino)-9, 9-dimethylxanthene(xantphos) is used as a bidentate ligand, which finds application in hydroformylation of alkenes.