≥97% 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504763510 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763510 |
| Canonical Smiles | C1=NC2=C(N1)C(=NC(=N2)F)Cl |
| IUPAC Name | 6-chloro-2-fluoro-7H-purine |
| InChIKey | UNRIYCIDCQDGQE-UHFFFAOYSA-N |
| INCHI | 1S/C5H2ClFN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11) |
| Isomeric SMILES | C1=NC2=C(N1)C(=NC(=N2)F)Cl |
| WGK Germany | 3 |
| Molecular Weight | 172.55 |
| Reaxy-Rn | 15424961 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15424961&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 | 2-halopyrimidines Aryl fluorides Aryl chlorides Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organochloride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - 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 |
|---|---|---|---|
 C2616079 | Certificate of Analysis | Mar 23, 2026 | C123435 |
| E2216021 | Certificate of Analysis | Feb 04, 2026 | C123435 |
| E2216022 | Certificate of Analysis | Feb 04, 2026 | C123435 |
| E2216026 | Certificate of Analysis | Feb 04, 2026 | C123435 |
| E2216028 | Certificate of Analysis | Feb 04, 2026 | C123435 |
| D1612223 | Certificate of Analysis | Dec 14, 2023 | C123435 |
| Melt Point(°C) | 151-153°C |
|---|---|
| Molecular Weight | 172.550 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 171.995 Da |
| Monoisotopic Mass | 171.995 Da |
| Topological Polar Surface Area | 54.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 157.000 |
| 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 |
| 1. Qiang Tang, Yingze Song, Xuan Cao, Cheng Yang, Dong Wang, Tingting Qin, Wei Zhang. (2023) Interface and energy band manipulation of Bi2O3-Bi2S3 electrode enabling advanced magnesium-ion storage. Journal of Magnesium and Alloys, [PMID:] [10.1016/j.jma.2023.01.007] |
| 2. Zewei Hao, Pengkun Wei, Hongzhi Kang, Yang Yang, Jing Li, Xue Chen, Donggang Guo, Lu Liu. (2020) Nickel cobalt oxide nanowires with iron incorporation realizing a promising electrocatalytic oxygen evolution reaction. NANOTECHNOLOGY, 31 (43): (435707). [PMID:32640442] [10.1088/1361-6528/aba3d9] |
| 3. Donggang Guo, Hongzhi Kang, Zewei Hao, Yang Yang, Pengkun Wei, Quanxi Zhang, Lu Liu. (2020) Mesoporous cobalt‑iron based materials as highly efficient electrocatalysts for oxygen evolution reaction. JOURNAL OF ELECTROANALYTICAL CHEMISTRY, [PMID:] [10.1016/j.jelechem.2020.114443] |
| 4. Qing Li, Wenjun Yan, Ye Liu, Haiyan Du, Zhongde Wang, Xiaogang Hao, Guoqing Guan. (2019) One-step electrodeposition of cauliflower-like CozNiySx@polypyrrole electrocatalysts on carbon fiber paper for hydrogen evolution reaction. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, [PMID:] [10.1016/j.ijhydene.2019.03.218] |
