≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
A useful synthetic intermediate.
| Pubchem Sid | 488186879 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186879 |
| Canonical Smiles | CN1C=NC2=C1C(=NC=N2)Cl |
| IUPAC Name | 6-chloro-7-methylpurine |
| InChIKey | NCZREVPKGQGLFM-UHFFFAOYSA-N |
| INCHI | 1S/C6H5ClN4/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3 |
| Isomeric SMILES | CN1C=NC2=C1C(=NC=N2)Cl |
| Molecular Weight | 168.59 |
| Reaxy-Rn | 149648 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=149648&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 | Organoheterocyclic compounds |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purines and purine derivatives |
| Alternative Parents | Halopyrimidines N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring. |
| 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 |
|---|---|---|---|
 C2328328 | Certificate of Analysis | Jan 19, 2026 | C356132 |
| C2328337 | Certificate of Analysis | Jan 19, 2026 | C356132 |
| C2328353 | Certificate of Analysis | Jan 19, 2026 | C356132 |
| C2328366 | Certificate of Analysis | Jan 19, 2026 | C356132 |
| C2328338 | Certificate of Analysis | Apr 09, 2023 | C356132 |
| Solubility | Soluble in Chloroforom, Dichloromethane, DMF, DMSO, Ethyl Acetate and Methanol |
|---|---|
| Boil Point(°C) | 321.7°C at 760 mmHg |
| Melt Point(°C) | 175-185° C |
| Molecular Weight | 168.580 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 168.02 Da |
| Monoisotopic Mass | 168.02 Da |
| Topological Polar Surface Area | 43.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 154.000 |
| 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 |
