3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride CAS 1172057-73-6
| CAS No. | 1172057-73-6 |
| Molecular Formula | C5H7BrN4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride (C5H7BrN4HCl) contains a nitrile group, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 239.50 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride (CAS 1172057-73-6), molecular formula C5H7BrN4HCl and molecular weight 239.50 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C5H7BrN4 HCl |
| Molecular Weight | 239.50 g/mol |
| Appearance | 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
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- (4-Ethyl-3,5-dimethoxyphenyl)methanol (CAS 203579-18-4)
- Upadacitinib Impurity 120 (CAS CATO-C4X-2405120)
- N-(4-Ethoxyphenyl)-2-imino-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 609797-34-4)
- 7-Propoxy-chromen-2-one (CAS 6093-73-8)
- 1,1-Diethoxy-2-methyl-2-propanol (CAS 108994-55-4)
- Tirzepatide Impurity 51 (CAS CATO-C4X-324051)
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