3-Phenyl-5-(phenylsulfanyl)-6-(trifluoromethyl)-1,2,4-triazine CAS 478048-14-5
| CAS No. | 478048-14-5 |
| Molecular Formula | C16H10F3N3S |
| Molecular Weight | 333.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Phenyl-5-(phenylsulfanyl)-6-(trifluoromethyl)-1,2,4-triazine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Phenyl-5-(phenylsulfanyl)-6-(trifluoromethyl)-1,2,4-triazine (CAS 478048-14-5), molecular formula C16H10F3N3S and molecular weight 333.33 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Phenyl-5-(phenylsulfanyl)-6-(trifluoromethyl)-1,2,4-triazine (C16H10F3N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 333.33 g/mol, it falls into the moderately-high-molecular-weight range. 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.
CATO manufactures 3-Phenyl-5-(phenylsulfanyl)-6-(trifluoromethyl)-1,2,4-triazine 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 | C16H10F3N3S |
| Molecular Weight | 333.33 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) | 12.0 |
| 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 Phenyl Standards
- 4-(Phenylsulfanyl)-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine (CAS 338404-82-3)
- 2-Phenyl-6-[(phenylsulfanyl)methyl]-N-(propan-2-yl)pyrimidin-4-amine (CAS 303147-75-3)
- 2-Methyl-2-(phenylsulfanyl)propanal O-(4-nitrobenzyl)oxime (CAS 306979-79-3)
- [1-Methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate (CAS 318239-55-3)
- 1-Benzyl-4-(phenylsulfanyl)phthalazine (CAS 320418-55-1)
- 4-(Phenylsulfanyl)-5-[(phenylsulfanyl)methyl]-2-pyrimidinamine (CAS 338975-32-9)
- 2-[2-(Phenylsulfanyl)pyridin-3-yl]-1,3-benzothiazole (CAS 339112-89-9)
- 2-Phenyl-4-(phenylsulfanyl)thieno[3,2-d]pyrimidine (CAS 383146-83-6)
Recommended Standards
- 3-(Difluoromethyl)-2-(2,3,4-trimethoxyphenyl)-1H-indole (CAS 2149597-56-6)
- 4-(3-(Benzyloxy)-4-(difluoromethoxy)phenyl)pyrrolidin-2-one (CAS 885056-45-1)
- 3-(2,4-Difluorophenyl)-1-[4-(morpholin-4-yl)phenyl]urea (CAS 866156-01-6)
- 2-(tert-Butylsulfonyl)-2-{2-[4-(trifluoromethyl)phenyl]hydrazono}acetonitrile (CAS 338976-14-0)
- 1-Methyl-N-{[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-thienyl]methyl}-1H-pyrazole-5-carboxamide (CAS 1358110-95-8)
- Ethyl 4-hydroxy-3-methylbut-2-enoate (CAS 70423-43-7)
- 4-((5-((3,4-Difluorophenyl)carbamoyl)-1,3,4-thiadiazol-2-yl)methoxy)benzoic acid (CAS 1142209-54-8)
- 7-Ethoxyisoquinoline (CAS 138223-15-1)
- 7,9-Dimethyl-2-((4-methylbenzyl)thio)-4-(naphthalen-2-yloxy)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 439111-33-8)
- Deruxtecan Impurity 7 (CAS CATO-C4X-30577)
- 4-((Methylsulfonyl)methyl)benzoperoxoic acid (CAS 1417633-81-8)
- 4-Bromobenzene-1,2,3-triol (CAS 17345-72-1)
- 6-Amino-3-(difluoromethyl)-5-hydroxypicolinamide (CAS 1804515-00-1)
- Liraglutide Impurity 19 TFA Salt (CAS CATO-C4X-199219)
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