Methyl 5-(4-chlorobenzyl)-1H-pyrrole-2-carboxylate CAS 1706443-48-2
| CAS No. | 1706443-48-2 |
| Molecular Formula | C13H12ClNO2 |
| Molecular Weight | 249.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 5-(4-chlorobenzyl)-1H-pyrrole-2-carboxylate (CAS 1706443-48-2) is a high-purity analytical reference standard with the molecular formula C13H12ClNO2 and a molecular weight of 249.69 g/mol.
Structurally, Methyl 5-(4-chlorobenzyl)-1H-pyrrole-2-carboxylate (C13H12ClNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 249.69 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C13H12ClNO2 |
| Molecular Weight | 249.69 g/mol |
| Appearance | Pale yellow to 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 1-(4-Chlorobenzyl)-5-methyl-1H-pyrrole-2-carboxylic acid (CAS 1196048-07-3)
- Methyl 4-(3-chlorobenzyl)-1H-pyrrole-3-carboxylate (CAS 1313712-17-2)
- Methyl 5-(2-chlorobenzyl)-1H-pyrrole-2-carboxylate (CAS 1706445-01-3)
- Methyl 5-(3-chlorobenzyl)-1H-pyrrole-2-carboxylate (CAS 1706460-19-6)
- 3-((4-Chlorobenzyl)oxy)-2-methylpyridin-4(1H)-one (CAS 287928-09-0)
- 1-(1-(4-Chlorobenzyl)-5-methyl-1H-1,2,3-triazol-4-yl)ethanone (CAS 1033463-42-1)
- N-(4-Chlorobenzyl)-1-(2-fluorophenyl)methanamine (CAS 1019486-97-5)
- N-(4-Chlorobenzyl)-1-(4-fluorophenyl)methanamine (CAS 212392-71-7)
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