≥98% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488197411 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488197411 |
| Canonical Smiles | CCCCCCCCN1C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)Br |
| IUPAC Name | 3,6-dibromo-9-octylcarbazole |
| InChIKey | MFYGWCVLNPQWRR-UHFFFAOYSA-N |
| INCHI | 1S/C20H23Br2N/c1-2-3-4-5-6-7-12-23-19-10-8-15(21)13-17(19)18-14-16(22)9-11-20(18)23/h8-11,13-14H,2-7,12H2,1H3 |
| Isomeric SMILES | CCCCCCCCN1C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)Br |
| Molecular Weight | 437.22 |
| Reaxy-Rn | 9721874 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9721874&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 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 - Organoheterocyclic compound - Azacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organonitrogen 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 |
| Solubility | Soluble in Toluene |
|---|---|
| Melt Point(°C) | 83 °C |
| Molecular Weight | 437.200 g/mol |
| XLogP3 | 8.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 7 |
| Exact Mass | 437.018 Da |
| Monoisotopic Mass | 435.02 Da |
| Topological Polar Surface Area | 4.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 336.000 |
| 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 |
| 1. Hongfei Leng, Qingyuan Niu, Wenhui Wu. (2012) Insoluble porous conjugated polymer films via phase separation and photo-crosslinking for the trace detection of 2,4-dinitrotoluene. POLYMER INTERNATIONAL, 62 (8): (1187-1191). [PMID:] [10.1002/pi.4405] |
K2202287