Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% 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.
| Canonical Smiles | CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=NC(=C3C4=C(N=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C |
|---|---|
| IUPAC Name | [3-[4-bis(3,5-dimethylphenyl)phosphanyl-2,6-dimethoxypyridin-3-yl]-2,6-dimethoxypyridin-4-yl]-bis(3,5-dimethylphenyl)phosphane |
| InChIKey | JRTHAKOHBMETRC-UHFFFAOYSA-N |
| INCHI | 1S/C46H50N2O4P2/c1-27-13-28(2)18-35(17-27)53(36-19-29(3)14-30(4)20-36)39-25-41(49-9)47-45(51-11)43(39)44-40(26-42(50-10)48-46(44)52-12)54(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38/h13-26H,1-12H3 |
| Isomeric SMILES | CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=NC(=C3C4=C(N=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C |
| WGK Germany | 3 |
| PubChem CID | 11182279 |
| Molecular Weight | 756.85 |
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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Bipyridines and oligopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bipyridines and oligopyridines |
| Alternative Parents | m-Xylenes Alkyl aryl ethers Heteroaromatic compounds Organic phosphines and derivatives Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Bipyridine - M-xylene - Xylene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Phosphine - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. |
| External Descriptors | Not available |
| Solubility | Sparingly soluble in water. |
|---|---|
| Melt Point(°C) | 158-162°C |
| Molecular Weight | 756.800 g/mol |
| XLogP3 | 10.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 756.325 Da |
| Monoisotopic Mass | 756.325 Da |
| Topological Polar Surface Area | 62.700 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 972.000 |
| 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 |