7-((2-Chloro-6-fluorobenzyl)thio)-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine CAS 1060203-38-4
| CAS No. | 1060203-38-4 |
| Molecular Formula | C12H9ClFN5S |
| Molecular Weight | 309.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 309.75 g/mol gives 7-((2-Chloro-6-fluorobenzyl)thio)-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
7-((2-Chloro-6-fluorobenzyl)thio)-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 1060203-38-4), molecular formula C12H9ClFN5S and molecular weight 309.75 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H9ClFN5S, 7-((2-Chloro-6-fluorobenzyl)thio)-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 309.75 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
CATO manufactures 7-((2-Chloro-6-fluorobenzyl)thio)-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H9ClFN5S |
| Molecular Weight | 309.75 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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- (4-Bromo-Phenoxy)-Difluoro-Acetic Acid Ethyl Ester (CAS 807368-45-2)
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- N-(3-Chlorophenyl)cyclobutanecarboxamide (CAS 15907-81-0)
- 5-Amino-2-chloro-N-(4-propoxyphenyl)benzamide (CAS 1455622-52-2)
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