≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CN(CCC12OCCO2)CC3=CC=CC=C3C(=O)C4=CC(=CC(=C4)F)F |
|---|---|
| IUPAC Name | (3,5-difluorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone |
| InChIKey | YSHBSKOBLZEQTO-UHFFFAOYSA-N |
| INCHI | 1S/C21H21F2NO3/c22-17-11-16(12-18(23)13-17)20(25)19-4-2-1-3-15(19)14-24-7-5-21(6-8-24)26-9-10-27-21/h1-4,11-13H,5-10,14H2 |
| Isomeric SMILES | C1CN(CCC12OCCO2)CC3=CC=CC=C3C(=O)C4=CC(=CC(=C4)F)F |
| PubChem CID | 24725393 |
| Molecular Weight | 373.4 |
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 | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Aryl-phenylketones N-benzylpiperidines Diphenylmethanes Azaspirodecane derivatives Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Ketals Fluorobenzenes Aryl fluorides 1,3-dioxolanes Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Organofluorides Organopnictogen compounds Aldehydes Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzophenone - Diphenylmethane - Aryl-phenylketone - N-benzylpiperidine - Benzylpiperidine - Azaspirodecane - Benzoyl - Benzylamine - Phenylmethylamine - Aryl ketone - Ketal - Fluorobenzene - Halobenzene - Aralkylamine - Piperidine - Aryl fluoride - Aryl halide - Meta-dioxolane - Tertiary amine - Tertiary aliphatic amine - Ketone - Oxacycle - Organoheterocyclic compound - Azacycle - Acetal - Organooxygen compound - Organic oxide - Aldehyde - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 373.400 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 373.149 Da |
| Monoisotopic Mass | 373.149 Da |
| Topological Polar Surface Area | 38.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 506.000 |
| 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 |
![3,5-Difluoro-2'-[8-(1,4-dioxa-8-azaspiro[4.5]decyl)methyl]benzophenone - ≥95% CAS No(898781-05-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D936271.jpg)