≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCCC[N+]1=CC=CC=C1.[Br-] |
|---|---|
| IUPAC Name | 1-octylpyridin-1-ium;bromide |
| InChIKey | LNKPCMOUFKLBCM-UHFFFAOYSA-M |
| INCHI | 1S/C13H22N.BrH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12-13H,2-6,8,11H2,1H3;1H/q+1;/p-1 |
| Isomeric SMILES | CCCCCCCC[N+]1=CC=CC=C1.[Br-] |
| PubChem CID | 75674 |
| Molecular Weight | 272.22 |
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 | Pyridines and derivatives |
| Subclass | Pyridinium derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinium derivatives |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine. |
| 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 |
|---|---|---|---|
 L2425392 | Certificate of Analysis | Dec 16, 2024 | N665071 |
| L2425394 | Certificate of Analysis | Dec 16, 2024 | N665071 |
| L2425395 | Certificate of Analysis | Dec 16, 2024 | N665071 |
| L2425397 | Certificate of Analysis | Dec 16, 2024 | N665071 |
| L2425399 | Certificate of Analysis | Dec 16, 2024 | N665071 |
| L2425401 | Certificate of Analysis | Dec 16, 2024 | N665071 |
| L2425402 | Certificate of Analysis | Dec 16, 2024 | N665071 |
| L2425417 | Certificate of Analysis | Dec 16, 2024 | N665071 |
| E2408245 | Certificate of Analysis | Mar 20, 2024 | N665071 |
| E2408252 | Certificate of Analysis | Mar 20, 2024 | N665071 |
| Molecular Weight | 272.220 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 7 |
| Exact Mass | 271.094 Da |
| Monoisotopic Mass | 271.094 Da |
| Topological Polar Surface Area | 3.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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 | 2 |
| 1. Lulu Zhang, Zhenning Yan, Yamin Lv, Shuangxia Shen. (2021) Studies on synthesis, volume and conductivity behaviors of three novel pharmaceutical salts [CnPy][AceSA] (n = 8, 10, 12). JOURNAL OF MOLECULAR LIQUIDS, [PMID:] [10.1016/j.molliq.2021.117336] |
| 2. Jing Zhang, Chengcheng Lv, Zhenyang Yu, Yangyuan Zhou. (2024) Step-wise reproductive toxicities of imidazolium- and pyridinium-based ionic liquids on Caenorhabditis elegans. JOURNAL OF HAZARDOUS MATERIALS, [PMID:39536357] [10.1016/j.jhazmat.2024.136458] |
