3-(1-Ethyl-3-(trifluoromethyl)-1h-pyrazol-5-yl)-6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepine CAS 1174868-11-1
| CAS No. | 1174868-11-1 |
| Molecular Formula | C13H16F3N5 |
| Molecular Weight | 299.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(1-Ethyl-3-(trifluoromethyl)-1h-pyrazol-5-yl)-6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-(1-Ethyl-3-(trifluoromethyl)-1h-pyrazol-5-yl)-6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepine (CAS 1174868-11-1), a certified reference material (molecular formula C13H16F3N5, MW 299.29 g/mol) for analytical method development and quality control.
Structurally, 3-(1-Ethyl-3-(trifluoromethyl)-1h-pyrazol-5-yl)-6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepine (C13H16F3N5) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine 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 299.29 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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-(1-Ethyl-3-(trifluoromethyl)-1h-pyrazol-5-yl)-6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepine 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 | C13H16F3N5 |
| Molecular Weight | 299.29 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Related Ethyl Standards
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Recommended Standards
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- 7-Methoxy-6-azaindole (CAS 160590-40-9)
- 8-Chloroquinoline-2,4-diol (CAS 1822902-32-8)
- Methyl 3-(4-chlorophenyl)-2-formamidopropanoate (CAS 120301-74-8)
- (E)-3-(4-fluoro-2-methylphenyl)acrylic acid (CAS 1454901-07-5)
- Tyvelose (CAS 5658-12-8)
- 4-Chloro-3-fluoro-3-piperidinomethyl benzophenone (CAS 898793-26-5)
- 2-Chloro-3,4-dimethoxypyridine hydrochloride (CAS 352534-78-2)
- N-(sec-butyl)-1-methyl-1H-pyrazole-4-carboxamide (CAS 1179394-11-6)
- Allo-Thr5-Tirzepatide (CAS CATO-CPTD788934)
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