2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[(Z)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine CAS 338751-44-3
| CAS No. | 338751-44-3 |
| Molecular Formula | C20H14ClFN4S |
| Molecular Weight | 396.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[(Z)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (C20H14ClFN4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 396.87 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO supplies 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[(Z)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 338751-44-3), a certified reference material (molecular formula C20H14ClFN4S, MW 396.87 g/mol) for analytical method development and quality control.
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.
As a certified reference material (CRM), 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[(Z)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C20H14ClFN4S |
| Molecular Weight | 396.87 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 1,9,10,11,12,12-Hexachloro-5-oxatetracyclo[7.2.1.0^{2,8}.0^{4,6}]dodec-10-ene-3,7-dione (CAS 38667-80-0)
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- 3-{1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775519-17-9)
- 5-(3-Chlorophenyl)-N-[4-morpholin-4-ymethyl)phenyl]furan-2-carboxamide (CAS 638156-11-3)
- 5-(4-Chlorophenyl)-3-phenylisoxazole (CAS 1148-87-4)
- 1-[5-(3-Methylphenyl)-2-thienyl]ethanone (CAS 893735-39-2)
- 1-([4-(2-Thienyl)-1,3-thiazol-2-yl]methyl)piperazine (CAS 1040631-46-6)
- Methyl 5-((3-(trifluoromethyl)phenoxy)methyl)furan-2-carboxylate (CAS 438218-32-7)
- 2-Amino-2-(2-methoxyphenyl)propanoic acid hydrochloride (CAS 88807-95-8)
- 1-(1-(2-Hydroxy-3-(piperazin-1-yl)propyl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one (CAS 883543-38-2)
- N-(Pyridin-3-ylmethyl)tetrahydrofuran-2-carboxamide (CAS 600159-47-5)
- 1-(Chloromethyl)-4-(octyloxy)benzene (CAS 110482-75-2)
- 1-Benzyl-2,3-dioxopiperazine (CAS 63352-56-7)
- Tirzepatide Impurity 21 X TFA Salt (CAS CATO-C4X-324021)
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