≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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 | 504761487 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761487 |
| Canonical Smiles | CC(C)(C)OC(=O)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| IUPAC Name | tert-butyl N-(triphenyl-λ5-phosphanylidene)carbamate |
| InChIKey | KNXPVXCUELYHDM-UHFFFAOYSA-N |
| INCHI | 1S/C23H24NO2P/c1-23(2,3)26-22(25)24-27(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Molecular Weight | 377.42 |
| Reaxy-Rn | 2884955 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2884955&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 | Organic carbonic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Triphenylphosphine - Phenylphosphine - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2001111 | Certificate of Analysis | Jan 27, 2026 | N194567 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 149 °C |
| Molecular Weight | 377.400 g/mol |
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 377.154 Da |
| Monoisotopic Mass | 377.154 Da |
| Topological Polar Surface Area | 38.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 481.000 |
| 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 |
