4-Iodo-1-(3-methylbenzyl)-1H-pyrazole CAS 957505-76-9
| CAS No. | 957505-76-9 |
| Molecular Formula | C11H11IN2 |
| Molecular Weight | 298.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 298.12 g/mol gives 4-Iodo-1-(3-methylbenzyl)-1H-pyrazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Iodo-1-(3-methylbenzyl)-1H-pyrazole (CAS 957505-76-9) is a high-purity analytical reference standard with the molecular formula C11H11IN2 and a molecular weight of 298.12 g/mol.
The molecular framework of 4-Iodo-1-(3-methylbenzyl)-1H-pyrazole (C11H11IN2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, iodine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
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 | C11H11IN2 |
| Molecular Weight | 298.12 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, 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
Related Iodo Standards
- 5-iodo-2,4-dimethoxybenzaldehyde (CAS 121177-67-1)
- 4-Iodo-3-(2-methylbenzyl)-1H-pyrazole (CAS 1260838-10-5)
- 4-Iodo-3,5-dimethyl-1-phenyl-1H-pyrazole (CAS 127661-59-0)
- 4-Iodo-1-methyl-5-(p-tolyl)-1H-pyrazole (CAS 1394034-45-7)
- 3-Iodo-N,N-dimethylquinolin-6-amine (CAS 1823365-67-8)
- 4-Iodo-1-(4-methylbenzyl)-1H-pyrazole (CAS 957505-77-0)
- Methyl 4-iodo-1-methoxycyclohexane-1-carboxylate (CAS 2097133-18-9)
- 2-Iodo-5-methylbenzenesulfonic acid (CAS 139778-27-1)
Recommended Standards
- 4-(2,4-Dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid (CAS 320419-40-7)
- 4-(2,4-Dichlorobenzoyl)-1H-pyrrole-2-carbohydrazide (CAS 338977-25-6)
- 5-Chloro-1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS 222414-95-1)
- 4-(2,3-Dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid (CAS 478249-67-1)
- 6-Amino-2,4-dimethylnicotinaldehyde (CAS 179555-36-3)
- Aigonyl (CAS 6340-87-0)
- 1-(Adamantan-1-yl)butan-1-amine (CAS 60196-91-0)
- Methyl 1-amino-3-fluorocyclobutane-1-carboxylate (CAS 1782412-49-0)
- Ethyl 3-Hydroxy-3-methyl-d3-butyrate-4,4,4-d3 (CAS 30385-86-5)
- 3-Chloro-5-sulfamoylbenzamide (CAS 857582-92-4)
- 1-Ethyl-N-(3-methoxybenzyl)-3-methyl-1H-pyrazol-4-amine hydrochloride (CAS 1856041-65-0)
- (R)-2-Amino-2-(5-methyl-1H-indol-3-yl)acetic acid (CAS 1384268-76-1)
- (3,5-Difluoro-2-nitrophenyl)boronic acid (CAS 1150114-60-5)
- D-Gln19-Tirzepatide (CAS CATO-CPTD788915)
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