4-Chloro-2-(5-chlorothiophen-2-yl)-5h,6h,7h-cyclopenta[d]pyrimidine CAS 1249768-08-8
| CAS No. | 1249768-08-8 |
| Molecular Formula | C11H8Cl2N2S |
| Molecular Weight | 271.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Chloro-2-(5-chlorothiophen-2-yl)-5h,6h,7h-cyclopenta[d]pyrimidine (CAS 1249768-08-8), molecular formula C11H8Cl2N2S and molecular weight 271.17 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C11H8Cl2N2S, 4-Chloro-2-(5-chlorothiophen-2-yl)-5h,6h,7h-cyclopenta[d]pyrimidine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 271.17 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C11H8Cl2N2S |
| Molecular Weight | 271.17 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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- 3,5-Difluoro-2-(isopentyloxy)benzoic acid (CAS 1443304-79-7)
- 1-Ethyl-2,6-dimethylpiperazine (CAS 143526-62-9)
- 1-[(oxan-4-yl)methyl]-1h-pyrazole-4-carbaldehyde (CAS 1342492-13-0)
- N-(2-chlorobenzyl)-2-cyanoacetamide (CAS 64488-07-9)
- 5-Chloro-2-iodo-6-methylnicotinonitrile (CAS 1163297-84-4)
- Methyl 2-(4-amino-1-methylpiperidin-4-yl)acetate (CAS 1376259-47-0)
- Erlotinib Impurity 2 (CAS 183321-85-9)
- Tirzepatide Impurity 47 (CAS CATO-C4X-324047)
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