≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 | C1COCCN1C(=O)C2=CC3=C(C=C2F)OC(O3)(C4=CC=C(C=C4)F)C5=C(C=C(C=C5)Cl)Cl |
|---|---|
| IUPAC Name | [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone |
| InChIKey | VUCKSZWMRCSPME-UHFFFAOYSA-N |
| INCHI | 1S/C24H17Cl2F2NO4/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)32-21-12-17(20(28)13-22(21)33-24)23(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2 |
| Isomeric SMILES | C1COCCN1C(=O)C2=CC3=C(C=C2F)OC(O3)(C4=CC=C(C=C4)F)C5=C(C=C(C=C5)Cl)Cl |
| PubChem CID | 22475020 |
| Molecular Weight | 492.3 |
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 | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | 2-halobenzoic acids and derivatives Benzodioxoles Morpholine carboxylic acids and derivatives Dichlorobenzenes Fluorobenzenes Ketals Aryl chlorides Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylmethane - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Benzodioxole - 1,3-dichlorobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Ketal - Aryl halide - Aryl fluoride - Aryl chloride - Oxazinane - Morpholine - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Acetal - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Azacycle - Organoheterocyclic compound - Ether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: 49.23, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 49.23, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 492.300 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 491.05 Da |
| Monoisotopic Mass | 491.05 Da |
| Topological Polar Surface Area | 48.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 706.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
