4-Chloro-6-deutero-2-methylsulfanyl-pyrimididine-5-carbonitrile CAS 2097068-57-8
| CAS No. | 2097068-57-8 |
| Molecular Formula | - |
| Molecular Weight | 186.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Chloro-6-deutero-2-methylsulfanyl-pyrimididine-5-carbonitrile is closely related to deuterium isotope labeling, a nitrile group, sulfur-containing functionality, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Chloro-6-deutero-2-methylsulfanyl-pyrimididine-5-carbonitrile (CAS 2097068-57-8), molecular formula C6H3DClN3S and molecular weight 186.64 g/mol, is a CATO reference standard with documented purity and traceability.
4-Chloro-6-deutero-2-methylsulfanyl-pyrimididine-5-carbonitrile (C6H3DClN3S) contains deuterium isotope labeling, a nitrile group, sulfur-containing functionality, chlorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 4-Chloro-6-deutero-2-methylsulfanyl-pyrimididine-5-carbonitrile 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 | C6H3DClN3S |
| Molecular Weight | 186.64 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) | 6.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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- 5-tert-Butylthio-1,3,4-thiadiazole-2-thiol (CAS 210285-92-0)
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