≥98% 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.
| Pubchem Sid | 504769049 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769049 |
| Sonrisas canónicas | C1=CC=C2C(=C1)C3=C(S2(=O)=O)C=C(C=C3)Br |
| IUPAC Name | 3-bromodibenzothiophene 5,5-dioxide |
| InChIKey | XHRCPNQYOKMDIP-UHFFFAOYSA-N |
| INCHI | 1S/C12H7BrO2S/c13-8-5-6-10-9-3-1-2-4-11(9)16(14,15)12(10)7-8/h1-7H |
| Isómeros SMILES | C1=CC=C2C(=C1)C3=C(S2(=O)=O)C=C(C=C3)Br |
| Peso molecular | 295.15 |
| Reaxy-Rn | 177958 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=177958&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 |
| Clase | Benzothiophenes |
| Subclass | Dibenzothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzothiophene-5,5-dioxides |
| Alternative Parents | Benzenoids Aryl bromides Sulfones Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzothiophene-5,5-dioxide - Benzenoid - Aryl halide - Aryl bromide - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dibenzothiophene-5,5-dioxides. These are organic aromatic compounds containing a dibenzothiophene disubstituted at the 5-position with two dioxide groups. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 228 °C |
|---|---|
| Peso molecular | 295.150 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 293.935 Da |
| Monoisotopic Mass | 293.935 Da |
| Topological Polar Surface Area | 42.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 373.000 |
| 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 |
I2320376