≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488197373 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488197373 |
| Canonical Smiles | CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C |
| IUPAC Name | [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane |
| InChIKey | XJJVPYMFHXMROQ-UHFFFAOYSA-N |
| INCHI | 1S/C46H44O4P2/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38/h9-24H,25-26H2,1-8H3 |
| Isomeric SMILES | CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C |
| WGK Germany | 3 |
| Molecular Weight | 722.8 |
| Reaxy-Rn | 8889401 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8889401&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylphosphines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylphosphines and derivatives |
| Alternative Parents | Benzodioxoles m-Xylenes Organic phosphines and derivatives Oxacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triphenylphosphine - Benzodioxole - M-xylene - Xylene - Phenylphosphine - Phosphine - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2402427 | Certificate of Analysis | Apr 03, 2026 | S161391 |
| E2318762 | Certificate of Analysis | Apr 18, 2025 | S161391 |
| E2318750 | Certificate of Analysis | Mar 04, 2025 | S161391 |
| E2318791 | Certificate of Analysis | Mar 04, 2025 | S161391 |
| E2318799 | Certificate of Analysis | Mar 04, 2025 | S161391 |
| D2306309 | Certificate of Analysis | Jan 15, 2025 | S161391 |
| D2306471 | Certificate of Analysis | Jan 15, 2025 | S161391 |
| Sensitivity | light & air & Moisture sensitive |
|---|---|
| Specific Rotation[α] | -61° (C=0.1,CHCl3) |
| Melt Point(°C) | 256-261 °C |
| Molecular Weight | 722.800 g/mol |
| XLogP3 | 11.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 722.271 Da |
| Monoisotopic Mass | 722.271 Da |
| Topological Polar Surface Area | 36.900 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 989.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
