≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,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 | CC(C)(C)C1COC(=N1)C2=C(C=CC(=C2)C(F)(F)F)P(C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F |
|---|---|
| IUPAC Name | [2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane |
| InChIKey | FIQFFQBQQIDYQG-QHCPKHFHSA-N |
| INCHI | 1S/C28H23F9NOP/c1-25(2,3)23-15-39-24(38-23)21-14-18(28(35,36)37)8-13-22(21)40(19-9-4-16(5-10-19)26(29,30)31)20-11-6-17(7-12-20)27(32,33)34/h4-14,23H,15H2,1-3H3/t23-/m0/s1 |
| Isomeric SMILES | CC(C)(C)[C@@H]1COC(=N1)C2=C(C=CC(=C2)C(F)(F)F)P(C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F |
| PubChem CID | 24778094 |
| Molecular Weight | 591.4 |
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 | Trifluoromethylbenzenes Oxazolines Organic phosphines and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Triphenylphosphine - Trifluoromethylbenzene - Phenylphosphine - Oxazoline - Phosphine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Alkyl halide - Organohalogen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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 |
| Molecular Weight | 591.400 g/mol |
|---|---|
| XLogP3 | 8.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 591.137 Da |
| Monoisotopic Mass | 591.137 Da |
| Topological Polar Surface Area | 21.600 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 844.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![(4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole - ≥97% , CAS No.1006708-91-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)