≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CN=C(N=C1)C2=NOC(=N2)CCl |
|---|---|
| IUPAC Name | 5-(chloromethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazole |
| InChIKey | XCTINNFYFNYYSO-UHFFFAOYSA-N |
| INCHI | 1S/C7H5ClN4O/c8-4-5-11-7(12-13-5)6-9-2-1-3-10-6/h1-3H,4H2 |
| Isomeric SMILES | C1=CN=C(N=C1)C2=NOC(=N2)CCl |
| PubChem CID | 43622109 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidines and pyrimidine derivatives |
| Alternative Parents | Heteroaromatic compounds 1,2,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine - 1,2,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Oxacycle - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organic nitrogen compound - Alkyl chloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 196.590 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 196.015 Da |
| Monoisotopic Mass | 196.015 Da |
| Topological Polar Surface Area | 64.700 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 165.000 |
| 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 |
![2-[5-(Chloromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine - ≥98% , CAS No.1009562-63-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)