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.
| Pubchem Sid | 504755248 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755248 |
| Canonical Smiles | C1=CC2=C(C=C3C4=C2C(=C1)C(=O)C5=CC(=C6C=CC=C(C6=C54)C3=O)Br)Br |
| IUPAC Name | 9,18-dibromohexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene-12,22-dione |
| InChIKey | HTENFZMEHKCNMD-UHFFFAOYSA-N |
| INCHI | 1S/C22H8Br2O2/c23-15-7-14-19-17-9(15)3-1-5-11(17)21(25)13-8-16(24)10-4-2-6-12(22(14)26)18(10)20(13)19/h1-8H |
| Isomeric SMILES | C1=CC2=C(C=C3C4=C2C(=C1)C(=O)C5=CC(=C6C=CC=C(C6=C54)C3=O)Br)Br |
| Molecular Weight | 464.11 |
| Reaxy-Rn | 1892567 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1892567&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 | Benzenoids |
| Class | Pyrenes |
| Subclass | Benzopyrenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzopyrenes |
| Alternative Parents | Chrysenes Polybrominated biphenyls Anthracenes Aryl bromides Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Benzo-a-pyrene - Chrysene - Polybrominated biphenyl - Phenanthrene - Anthracene - Aryl halide - Aryl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2418200 | Certificate of Analysis | Apr 12, 2024 | D193413 |
| G2418201 | Certificate of Analysis | Apr 12, 2024 | D193413 |
| G2418202 | Certificate of Analysis | Apr 12, 2024 | D193413 |
| G2418221 | Certificate of Analysis | Apr 12, 2024 | D193413 |
| G2418222 | Certificate of Analysis | Apr 12, 2024 | D193413 |
| G2418223 | Certificate of Analysis | Apr 12, 2024 | D193413 |
| G2418224 | Certificate of Analysis | Apr 12, 2024 | D193413 |
| G2418225 | Certificate of Analysis | Apr 12, 2024 | D193413 |
| Molecular Weight | 464.100 g/mol |
|---|---|
| XLogP3 | 6.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 463.887 Da |
| Monoisotopic Mass | 461.889 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 607.000 |
| 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 |
