4-Bromo-1-cyclopentyl-3-(isobutoxymethyl)-1H-pyrazole CAS 1856085-46-5
| CAS No. | 1856085-46-5 |
| Molecular Formula | C13H21BrN2O |
| Molecular Weight | 301.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-Bromo-1-cyclopentyl-3-(isobutoxymethyl)-1H-pyrazole (C13H21BrN2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 301.22 g/mol, it falls into the moderately-high-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.
CATO supplies 4-Bromo-1-cyclopentyl-3-(isobutoxymethyl)-1H-pyrazole (CAS 1856085-46-5), a certified reference material (molecular formula C13H21BrN2O, MW 301.22 g/mol) for analytical method development and quality control.
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.
As a certified reference material (CRM), 4-Bromo-1-cyclopentyl-3-(isobutoxymethyl)-1H-pyrazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H21BrN2O |
| Molecular Weight | 301.22 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 1-([1,1'-Biphenyl]-4-yloxy)cyclopropanecarboxylic acid (CAS 1399657-26-1)
- Ethyl (5-chloro-2-hydroxybenzyl)glycinate (CAS 1183756-79-7)
- Methyl 2-(1-([1,1'-biphenyl]-4-yl)ethylidene)hydrazine-1-carboxylate (CAS 273216-72-1)
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