≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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(=C(C=C1Cl)C=O)N2C=NN=N2 |
|---|---|
| IUPAC Name | 5-chloro-2-(tetrazol-1-yl)benzaldehyde |
| InChIKey | JYIIRAPFQHKOOC-UHFFFAOYSA-N |
| INCHI | 1S/C8H5ClN4O/c9-7-1-2-8(6(3-7)4-14)13-5-10-11-12-13/h1-5H |
| Isomeric SMILES | C1=CC(=C(C=C1Cl)C=O)N2C=NN=N2 |
| PubChem CID | 11543019 |
| Molecular Weight | 208.61 |
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 | Azoles |
| Subclass | Tetrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyltetrazoles and derivatives |
| Alternative Parents | Benzoyl derivatives Benzaldehydes Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyltetrazole - Benzaldehyde - Benzoyl - Chlorobenzene - Halobenzene - Aryl-aldehyde - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Organochloride - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 208.600 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 208.015 Da |
| Monoisotopic Mass | 208.015 Da |
| Topological Polar Surface Area | 60.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 216.000 |
| 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 |
