2-(Trifluoromethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one CAS 877402-85-2
| CAS No. | 877402-85-2 |
| Molecular Formula | C8H8F3N3O |
| Molecular Weight | 219.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(Trifluoromethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one (CAS 877402-85-2), molecular formula C8H8F3N3O and molecular weight 219.16 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 2-(Trifluoromethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 219.16 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
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 | C8H8F3N3O |
| Molecular Weight | 219.16 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Trifluoromethyl Standards
- Ethyl 6-(trifluoromethyl)picolinate (CAS 1010422-92-0)
- Ethyl 5-(trifluoromethyl)nicotinate (CAS 1060794-89-9)
- Ethyl 4-(trifluoromethyl)-2-pyridinecarboxylate (CAS 1171919-08-6)
- Ethyl 4-(trifluoromethyl)nicotinate (CAS 1214332-65-6)
- Ethyl 3-(trifluoromethyl)isonicotinate (CAS 1214337-41-3)
- Ethyl 2-(trifluoromethyl)isonicotinate (CAS 1214351-44-6)
- Ethyl 5-(trifluoromethyl)picolinate (CAS 128072-94-6)
- 1-(4-(Trifluoromethyl)pyrimidin-2-yl)azetidin-3-ol (CAS 1311648-52-8)
Recommended Standards
- 2-(methylamino)-5-(trifluoromethyl)benzoic acid (CAS 445479-60-7)
- 2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS 647862-98-4)
- 2-(Dimethylamino)-6-(trifluoromethyl)pyrimidine-4-carbaldehyde (CAS 944900-94-1)
- 2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol (CAS 741737-19-9)
- (4-Chloro-1H-indol-1-yl)acetic acid (CAS 1092303-15-5)
- 1-(5-Bromothiophen-2-yl)ethanol (CAS 34878-41-6)
- 1-(Furan-2-yl)-3-(p-tolyl)prop-2-en-1-one (CAS 14385-62-7)
- 2,2,2-Trifluoroethyl n-(3-{5h,6h,7h-pyrrolo[2,1-c][1,2,4]triazol-3-yl}phenyl)carbamate (CAS 1221725-30-9)
- 2-Chloro-1-(imidazo[1,5-a]pyridin-1-yl)ethan-1-one (CAS 51132-06-0)
- 2-(4-Cyano-2-fluorophenyl)acetic acid (CAS 1261791-33-6)
- N-(2-Azabicyclo[2.2.1]heptan-5-yl)imidazo[1,5-a]pyrazine-6-carboxamide (CAS 588725-52-4)
- Benzyl Methanethiosulfonate (CAS 7559-62-8)
- 334-88-3 60A625P70P Diazomethane Methane, diazo- 4-01-00-03056 (Beilstein Handbook Reference) Acomethylene Azimethylene BRN 0102415 CCRIS 205 Diazirine Diazonium methylide EINECS 206-382-7 HSDB 1628 UNII-60A625P70P (CAS 334-88-3)
- Semaglutide impurity 46 (CAS CATO-C4X-222646)
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