≥95% 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.
| Sonrisas canónicas | C1CN(CCC12OCCO2)CC3=CC=CC=C3C(=O)C4=CC=CC=C4C(F)(F)F |
|---|---|
| IUPAC Name | [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-[2-(trifluoromethyl)phenyl]methanone |
| InChIKey | XHEJIUAXSNMSRU-UHFFFAOYSA-N |
| INCHI | 1S/C22H22F3NO3/c23-22(24,25)19-8-4-3-7-18(19)20(27)17-6-2-1-5-16(17)15-26-11-9-21(10-12-26)28-13-14-29-21/h1-8H,9-15H2 |
| Isómeros SMILES | C1CN(CCC12OCCO2)CC3=CC=CC=C3C(=O)C4=CC=CC=C4C(F)(F)F |
| CAS alternativo | 898756-27-9 |
| PubChem CID | 24725379 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Aryl-phenylketones N-benzylpiperidines Diphenylmethanes Trifluoromethylbenzenes Azaspirodecane derivatives Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Ketals 1,3-dioxolanes Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Aldehydes Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzophenone - Diphenylmethane - N-benzylpiperidine - Benzylpiperidine - Aryl-phenylketone - Azaspirodecane - Trifluoromethylbenzene - Benzoyl - Benzylamine - Phenylmethylamine - Aryl ketone - Aralkylamine - Ketal - Piperidine - Meta-dioxolane - Tertiary aliphatic amine - Tertiary amine - Ketone - Organoheterocyclic compound - Oxacycle - Azacycle - Acetal - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aldehyde - Organic oxide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | Not available |
| Peso molecular | 405.400 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 405.155 Da |
| Monoisotopic Mass | 405.155 Da |
| Topological Polar Surface Area | 38.800 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 566.000 |
| 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 |
![2-[8-(1,4-Dioxa-8-azaspiro[4.5]decyl)methyl]-2'-trifluorobenzophenone - ≥95% , CAS No.898756-27-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)