3-Bromo-4-ethyl-4H-1,2,4-triazole CAS 64907-56-8
| CAS No. | 64907-56-8 |
| Molecular Formula | C4H6BrN3 |
| Molecular Weight | 176.01 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Bromo-4-ethyl-4H-1,2,4-triazole is closely related to a nitrile group, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Bromo-4-ethyl-4H-1,2,4-triazole (CAS 64907-56-8), molecular formula C4H6BrN3 and molecular weight 176.01 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Bromo-4-ethyl-4H-1,2,4-triazole (C4H6BrN3) contains a nitrile group, 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 176.01 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C4H6BrN3 |
| Molecular Weight | 176.01 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| 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.) | 1975 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
Related Bromo Standards
- 5-Bromo-1,4-dimethyl-1H-1,2,3-triazole (CAS 1040275-55-5)
- 4-Bromo-3,5-dimethylisoxazole (CAS 10558-25-5)
- 1240612-08-1 2-Bromo-4,5-dimethyl-1,3-oxazole DTXSID50622352 (CAS 1240612-08-1)
- 4-Bromo-2-ethyl-2H-1,2,3-triazole (CAS 1248676-97-2)
- 3-Bromo-5,6-dihydropyridin-2(1H)-one (CAS 1258849-38-5)
- 5-Bromo-3-ethyl-isoxazole (CAS 1314961-74-4)
- 5-Bromo-2-ethyloxazole (CAS 1391740-26-3)
- 4-Bromo-1-ethyl-1H-1,2,3-triazole (CAS 1393532-87-0)
Recommended Standards
- 3-bromo-4,5-dimethyl-4H-1,2,4-triazole (CAS 56616-84-3)
- 4-(Bromomethyl)-2-methyl-1,3-oxazole (CAS 657389-99-6)
- 3-Bromo-4,5-dimethyl-1,2-oxazole (CAS 903130-90-5)
- 4-(bromomethyl)-2-methyl-2H-1,2,3-triazole (CAS 942060-51-7)
- 168890-45-7 2-(4-Methylphenyl)azepane 5433AD C13H19N (CAS 168890-45-7)
- 3-(2-((4-Chlorophenyl)amino)ethyl)phenol (CAS 295319-83-4)
- 2-(Propylcarbamoyl)cyclohexane-1-carboxylic acid (CAS 545352-96-3)
- 6-Bromo-2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine (CAS 1427503-34-1)
- 6-Chloro-1,2,4-triazine-3,5(2H,4H)-dione (CAS 873-44-9)
- Methyl 6-chloro-1-naphthoate (CAS 5471-30-7)
- 2-Chloro-4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazine (CAS 2568469-43-0)
- Ethyl 5-amino-1-(3-chlorophenyl)-1H-pyrazole-3-carboxylate (CAS 1264047-21-3)
- 6-Oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,6-dihydro-pyridine-3-carboxylic acid (CAS 1036448-21-1)
- Tirzepatide Impurity 19 X TFA Salt (CAS CATO-C4X-324019)
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