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Room temperature,Desiccated 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.
| Canonical Smiles | C1=CC=C2C(=C1)[N-]N=N2.[Na+] |
|---|---|
| IUPAC Name | sodium;benzotriazol-1-ide |
| InChIKey | POCQWBKETUXWSC-UHFFFAOYSA-N |
| INCHI | 1S/C6H4N3.Na/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H;/q-1;+1 |
| Isomeric SMILES | C1=CC=C2C(=C1)[N-]N=N2.[Na+] |
| Alternate CAS | 15217-42-2 |
| Molecular Weight | 141.11 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzotriazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzotriazoles |
| Alternative Parents | Benzenoids Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzotriazole - Benzenoid - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azole - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms). |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Apr 18, 2025 | S770526 | |
| Certificate of Analysis | Apr 18, 2025 | S770526 | |
| Certificate of Analysis | Apr 18, 2025 | S770526 | |
| Certificate of Analysis | Apr 18, 2025 | S770526 | |
| Certificate of Analysis | Apr 18, 2025 | S770526 | |
| Certificate of Analysis | Apr 18, 2025 | S770526 | |
| Certificate of Analysis | Apr 18, 2025 | S770526 | |
| Certificate of Analysis | Apr 18, 2025 | S770526 |
| Molecular Weight | 141.110 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 141.03 Da |
| Monoisotopic Mass | 141.03 Da |
| Topological Polar Surface Area | 26.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 109.000 |
| 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 |