2-(3,5-Dibromo-1H-1,2,4-triazol-1-yl)acetonitrile CAS 477869-83-3
| CAS No. | 477869-83-3 |
| Molecular Formula | C4H2Br2N4 |
| Molecular Weight | 265.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C4H2Br2N4, 2-(3,5-Dibromo-1H-1,2,4-triazol-1-yl)acetonitrile contains a nitrile group, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 265.89 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
2-(3,5-Dibromo-1H-1,2,4-triazol-1-yl)acetonitrile (CAS 477869-83-3), molecular formula C4H2Br2N4 and molecular weight 265.89 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 | C4H2Br2N4 |
| Molecular Weight | 265.89 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 |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
Related Dibromo Standards
- 2,5-Dibromo-1,4-benzoquinone (CAS 1633-14-3)
- 2,6-Dibromo-3-methylphenol (CAS 100477-79-0)
- 2,5-Dibromo-3,6-dimethylpyrazine, 96% (CAS 121594-49-8)
- 5,6-Dibromo-2-methylpyridin-3-amine (CAS 1227628-71-8)
- 4,6-Dibromo-2-methylpyridin-3-amine (CAS 126325-49-3)
- 2,6-Dibromo-5-methylpyridin-3-amine (CAS 126325-51-7)
- 3,5-Dibromo-2-methylpyridin-4-amine (CAS 126325-54-0)
- 4,5-Dibromo-2-cyclopropyl-1H-imidazole (CAS 1269233-20-6)
Recommended Standards
- 3,6-Dibromopyrazine-2-carbaldehyde (CAS 1270497-54-5)
- 4,5-Dibromocyclohexa-3,5-diene-1,2-dione (CAS 55759-50-7)
- Methyl bis(bromomethyl)phosphinate (CAS 885951-92-8)
- 4,6-Dibromopyrimidine-5-carbaldehyde (CAS 30129-50-1)
- N-(3-cyano-4-(phenylthio)phenyl)-3-(trifluoromethyl)benzamide (CAS 303147-77-5)
- N-(2-Cyclopropoxyphenyl)methanesulfonamide (CAS 1243361-59-2)
- 6-((3-(Trifluoromethyl)phenyl)thio)imidazo[2,1-b]thiazole-5-carbaldehyde (CAS 175277-56-2)
- 1-(5-Bromo-2-fluoro-3-hydroxyphenyl)ethan-1-one (CAS 1804906-24-8)
- Fudosteine Impurity 85 (CAS CATO-C4X-144785)
- 2,2-Dimethylhexan-3-amine (CAS 1099598-50-1)
- D,L-Carbidopa (CAS 302-53-4)
- 4-(5,5-Diethylmorpholin-2-yl)benzonitrile (CAS 1017418-41-5)
- 1-(1-(Aminomethyl)cyclohexyl)cyclobutan-1-ol (CAS 1521802-98-1)
- Liraglutide Impurity 26 (CAS CATO-C4X-199226)
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