5,8-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine CAS 780754-27-0
| CAS No. | 780754-27-0 |
| Molecular Formula | C8H11F3N4 |
| Molecular Weight | 220.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5,8-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
5,8-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CAS 780754-27-0) is a high-purity analytical reference standard with the molecular formula C8H11F3N4 and a molecular weight of 220.19 g/mol.
The molecular framework of 5,8-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (C8H11F3N4) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
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.
Physical & Chemical Properties
| Molecular Formula | C8H11F3N4 |
| Molecular Weight | 220.19 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related Dimethyl Standards
- 1-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethanone (CAS 1245822-67-6)
- 5,5-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CAS 723286-97-3)
- 6,6-Dimethyl-2-(Trifluoroacetyl)-2-Cyclohexen-1-One (CAS 343950-36-7)
- 1,5-Dimethyl citrate (CAS 53798-96-2)
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- 6-Bromo-2-methyl-1,2,3,4-tetrahydroquinoline (CAS 42835-98-3)
- 6'-Bromo-4,4-difluorospiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridin]-2'(1'H)-one (CAS 1190862-25-9)
- Methyl 6-(2-aminoethyl)pyrimidine-4-carboxylate (CAS 1393552-04-9)
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