5-Bromo-1-(tert-butyl)-4-nitro-1H-pyrazole CAS 1781172-13-1
| CAS No. | 1781172-13-1 |
| Molecular Formula | C7H10BrN3O2 |
| Molecular Weight | 248.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-Bromo-1-(tert-butyl)-4-nitro-1H-pyrazole.
5-Bromo-1-(tert-butyl)-4-nitro-1H-pyrazole (CAS 1781172-13-1), molecular formula C7H10BrN3O2 and molecular weight 248.08 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system, 5-Bromo-1-(tert-butyl)-4-nitro-1H-pyrazole is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 248.08 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 5-Bromo-1-(tert-butyl)-4-nitro-1H-pyrazole 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 | C7H10BrN3O2 |
| Molecular Weight | 248.08 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
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