3-Phenyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-4-amine CAS 674788-29-5
| CAS No. | 674788-29-5 |
| Molecular Formula | C16H13F3N4S |
| Molecular Weight | 350.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Phenyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-4-amine (CAS 674788-29-5), molecular formula C16H13F3N4S and molecular weight 350.36 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Phenyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-4-amine (C16H13F3N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 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 350.36 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), 3-Phenyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-4-amine 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 | C16H13F3N4S |
| Molecular Weight | 350.36 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.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Phenyl Standards
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- 3-(2-Oxo-3-(4-(trifluoromethyl)phenyl)imidazolidin-1-yl)benzoic acid (CAS 651748-86-6)
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Recommended Standards
- 2,2,2-Trifluoro-1-{4-phenyl-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl}ethan-1-one (CAS 866009-42-9)
- 4-(4-Methoxyphenyl)-N-(4-(trifluoromethyl)phenyl)thiazol-2-amine (CAS 860644-60-6)
- 1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt (CAS 63815-69-0)
- 4-[2-(4-phenoxyphenoxy)ethoxy]benzoic acid (CAS 929975-44-0)
- 1-(4-Ethylbenzyl)-4-methyl-1H-pyrazol-3-amine (CAS 1341903-21-6)
- (E)-2-((4-(2-Nitrovinyl)benzyl)oxy)pyridine 936342-26-6 (CAS 936342-26-6)
- 5-Methyl-3-(piperazin-1-yl)-1,2,4-oxadiazole (CAS 1019637-82-1)
- 2H-[1,2,3]Triazolo[4,5-d]pyrimidine (CAS 273-39-2)
- 4-Chloro-2,6-dicyclopropylpyrimidine (CAS 1159820-61-7)
- 2-Chloro-N-(5-methylthiazol-2-yl)acetamide (CAS 575497-12-0)
- 2-(4-Fluorophenyl)-N-(3-(pyrrolidin-1-yl)propyl)quinolin-4-amine (CAS 918970-06-6)
- Methyl 6-(3,4-dihydroquinolin-1(2H)-yl)-2-methylnicotinate (CAS 1355225-46-5)
- 9,10-Dihydroretinoic Acid (CAS 98299-56-0)
- Vasonatrin Peptide (VNP) trifluoroacetate salt (CAS 141676-35-9)
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