for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Desiccated Ships Ice chest + Ice pads 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.
Store at -20°C. Store In the Dark. Store under desiccating conditions. This product is air and light sensitive and impurities can occur as a result of air oxidation or due to metabolism by microbes.
| Canonical Smiles | CN(C)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(C)C)C5=C(C=CC(=C5)NC(=O)CI)C(=O)O3 |
|---|---|
| IUPAC Name | N-[3',6'-bis(dimethylamino)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl]-2-iodoacetamide |
| InChIKey | PBNJVBIBIUPXPG-UHFFFAOYSA-N |
| INCHI | 1S/C26H24IN3O4/c1-29(2)16-6-9-19-22(12-16)33-23-13-17(30(3)4)7-10-20(23)26(19)21-11-15(28-24(31)14-27)5-8-18(21)25(32)34-26/h5-13H,14H2,1-4H3,(H,28,31) |
| Isomeric SMILES | CN(C)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(C)C)C5=C(C=CC(=C5)NC(=O)CI)C(=O)O3 |
| Molecular Weight | 569.39 |
| Reaxy-Rn | 7058417 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7058417&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 | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Dibenzopyrans |
| Direct Parent | Xanthenes |
| Alternative Parents | Diarylethers Phthalides Benzofuranones Isobenzofurans N-arylamides Dialkylarylamines Benzenoids Secondary carboxylic acid amides Amino acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organoiodides Organopnictogen compounds Alkyl iodides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthene - Diaryl ether - Phthalide - Benzofuranone - Isobenzofuranone - Isobenzofuran - Isocoumaran - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - Benzenoid - Carboxylic acid ester - Lactone - Carboxamide group - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Alkyl iodide - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. |
| External Descriptors | Not available |
| Sensitivity | air and light sensitive |
|---|---|
| Molecular Weight | 569.400 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 569.081 Da |
| Monoisotopic Mass | 569.081 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 760.000 |
| 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 |
