≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | COC(=O)C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-] |
|---|---|
| IUPAC Name | (4-methoxycarbonylphenyl)methyl-triphenylphosphanium;bromide |
| InChIKey | WUWDGVKUXDZLNU-UHFFFAOYSA-M |
| INCHI | 1S/C27H24O2P.BrH/c1-29-27(28)23-19-17-22(18-20-23)21-30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1 |
| Isomeric SMILES | COC(=O)C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-] |
| PubChem CID | 2764257 |
| Molecular Weight | 491.37 |
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 | Benzoic acid esters Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Triphenylphosphine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Phenylphosphine - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organophosphorus compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic bromide salt - Organic salt - Aromatic homomonocyclic 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 |
| Sensitivity | light & Moisture sensitive |
|---|---|
| Molecular Weight | 491.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 490.07 Da |
| Monoisotopic Mass | 490.07 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 475.000 |
| 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 | 2 |
