2-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-4-(trifluoromethyl)pyrimidine-5-carbonitrile CAS 400077-06-7
| CAS No. | 400077-06-7 |
| Molecular Formula | C15H7F6N3OS |
| Molecular Weight | 391.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-4-(trifluoromethyl)pyrimidine-5-carbonitrile (C15H7F6N3OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 391.29 g/mol, it falls into the moderately-high-molecular-weight range. 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).
2-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-4-(trifluoromethyl)pyrimidine-5-carbonitrile (CAS 400077-06-7) is a high-purity analytical reference standard with the molecular formula C15H7F6N3OS and a molecular weight of 391.29 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-4-(trifluoromethyl)pyrimidine-5-carbonitrile 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 | C15H7F6N3OS |
| Molecular Weight | 391.29 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related oxo Standards
- 2-({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)-4-(trifluoromethyl)pyrimidine-5-carbonitrile (CAS 400079-37-0)
- Methyl 2-({2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]propanoyl}amino)benzenecarboxylate (CAS 692732-71-1)
- 2-Phenyl-1-[5-(1-{[3-(trifluoromethyl)pyridin-2-yl]sulfanyl}ethyl)-1H-pyrazol-1-yl]ethan-1-one (CAS 1211305-28-0)
- 5-((5-(Trifluoromethyl)pyridin-2-yl)sulfonyl)thiophene-2-sulfonyl chloride (CAS 175202-87-6)
- 1-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazine (CAS 22365-08-8)
- 5,5-Bis(trifluoromethyl)-6,6,7,7,8,8,8-heptafluorooctan-1-ol (CAS 1980040-36-5)
- Benzyl 5-(trifluoromethyl)spiro[indoline-3,4'-piperidine]-1'-carboxylate (CAS 1243328-71-3)
- 4-[3,5-Bis(trifluoromethyl)phenyl]-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol (CAS 1170510-97-0)
Recommended Standards
- Di-tert-butyl 1-(3,4-dichlorobenzyl)hydrazine-1,2-dicarboxylate (CAS 1624262-65-2)
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- 898762-18-0 (4-Bromo-2-fluorophenyl){2-[(4-methylpiperazin-1-yl)methyl]phenyl}methanone DTXSID00643890 (CAS 898762-18-0)
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- 5-(3,4,5-Trimethoxyphenyl)-1,3,4-thiadiazol-2-amine (CAS 28004-59-3)
- 2-Amino-N-ethyl-4-methylthiazole-5-sulfonamide (CAS 1342368-78-8)
- D-Ser32-Tirzepatide (CAS CATO-CPTD788692)
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