Methyl (Z)-3-(3-bromo-1H-1,2,4-triazol-5-yl)acrylate CAS 1365988-78-8
| CAS No. | 1365988-78-8 |
| Molecular Formula | C6H6BrN3O2 |
| Molecular Weight | 232.03 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl (Z)-3-(3-bromo-1H-1,2,4-triazol-5-yl)acrylate (CAS 1365988-78-8) is a high-purity analytical reference standard with the molecular formula C6H6BrN3O2 and a molecular weight of 232.03 g/mol.
Structurally, Methyl (Z)-3-(3-bromo-1H-1,2,4-triazol-5-yl)acrylate (C6H6BrN3O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 232.03 g/mol, it falls into the medium-molecular-weight range. 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.
CATO manufactures Methyl (Z)-3-(3-bromo-1H-1,2,4-triazol-5-yl)acrylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C6H6BrN3O2 |
| Molecular Weight | 232.03 g/mol |
| Appearance | Off-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 sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
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Why CATO?
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