3-((4-Bromobenzyl)thio)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine CAS 449746-27-4
| CAS No. | 449746-27-4 |
| Molecular Formula | C10H8BrF3N4S |
| Molecular Weight | 353.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
CATO supplies 3-((4-Bromobenzyl)thio)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine (CAS 449746-27-4), a certified reference material (molecular formula C10H8BrF3N4S, MW 353.16 g/mol) for analytical method development and quality control.
Structurally, 3-((4-Bromobenzyl)thio)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine (C10H8BrF3N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 353.16 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.
Physical & Chemical Properties
| Molecular Formula | C10H8BrF3N4S |
| Molecular Weight | 353.16 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Bromobenzyl Standards
- 4-((4-Bromobenzyl)(1H-imidazol-1-yl)amino)benzonitrile (CAS 791062-26-5)
- 5-(4-Bromobenzyl)-2-(ethylthio)-6-oxo-3,6-dihydropyrimidine-4-carbaldehyde (CAS 19143-23-8)
- 5-((4-Bromobenzyl)sulfonyl)-3-chloro-1,2,4-thiadiazole (CAS 494763-24-5)
- 4-((4-Bromobenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile (CAS 148869-05-0)
- Ethyl 5-[(3-bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylate (CAS 866008-06-2)
- 5-(4-Bromobenzyl)-2-morpholinothiazol-4-amine (CAS 1387557-04-1)
- 5-(3-Bromobenzyl)-2-morpholinothiazol-4-amine (CAS 1387573-85-4)
- Bis(4-bromobenzyl)amine (CAS 24898-17-7)
Recommended Standards
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- 4-(3,5-Dimethyl-1H-pyrazol-4-yl)pyridine (CAS 734533-08-5)
- 1,4-diaminoanthracene-9,10-diol (CAS 5327-72-0)
- N-(6-Cyanopyridin-3-yl)acetamide (CAS 1223587-77-6)
- 3-Amino-N-phenyl-1H-pyrazole-4-carboxamide (CAS 96206-64-3)
- 6-Fluoro-2-hydrazinylpyrimidin-4-amine (CAS 188987-87-3)
- 1,2-Dichlorofluoroethane (CAS 430-57-9)
- (2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)({4-[(dimethylamino)methyl]phenyl}methyl)amine (CAS 1014247-57-4)
- Semaglutide impurity 274 (CAS CATO-C4X-2226274)
Why CATO?
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