Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC) 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 | 504771205 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771205 |
| Canonical Smiles | CCCCCCCCC(CCCCCCCC)N1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br |
| IUPAC Name | 2,7-dibromo-9-heptadecan-9-ylcarbazole |
| InChIKey | HRUNMSCVUSIWQM-UHFFFAOYSA-N |
| INCHI | 1S/C29H41Br2N/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)32-28-21-23(30)17-19-26(28)27-20-18-24(31)22-29(27)32/h17-22,25H,3-16H2,1-2H3 |
| Isomeric SMILES | CCCCCCCCC(CCCCCCCC)N1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br |
| Molecular Weight | 563.46 |
| Reaxy-Rn | 21560300 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21560300&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 | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Brominated biphenyls |
| Direct Parent | Polybrominated biphenyls |
| Alternative Parents | Carbazoles N-alkylindoles Indoles Substituted pyrroles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Polybrominated biphenyl - Carbazole - N-alkylindole - Indole - Indole or derivatives - Aryl bromide - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom. |
| External Descriptors | Not available |
| Melt Point(°C) | 72 °C |
|---|---|
| Molecular Weight | 563.400 g/mol |
| XLogP3 | 12.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 15 |
| Exact Mass | 563.159 Da |
| Monoisotopic Mass | 561.161 Da |
| Topological Polar Surface Area | 4.900 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 456.000 |
| 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 |