Methyl 4-chloro-5-nitro-1H-pyrrole-2-carboxylate CAS 1706433-18-2
| CAS No. | 1706433-18-2 |
| Molecular Formula | C6H5ClN2O4 |
| Molecular Weight | 204.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Methyl 4-chloro-5-nitro-1H-pyrrole-2-carboxylate (C6H5ClN2O4) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine 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 204.57 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.
Methyl 4-chloro-5-nitro-1H-pyrrole-2-carboxylate (CAS 1706433-18-2), molecular formula C6H5ClN2O4 and molecular weight 204.57 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C6H5ClN2O4 |
| Molecular Weight | 204.57 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 methanol, ethanol, DMSO, water |
| 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.) | 1994 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- Pyridine, 2-chloro-3-methoxy-4-nitro-, 1-oxide (CAS 101664-57-7)
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- 2-Chloro-3-(difluoromethyl)-5-hydroxyisonicotinonitrile (CAS 1807028-37-0)
- Tipiracil Impurity 4 (CAS CATO-C4X-10054)
- 3-Bromo-1-(difluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 1713589-83-3)
- Ethyl 3-(4-aminobenzamido)propanoate (CAS 172899-48-8)
- (R)-3-Methyl-4-(6-nitropyridin-3-yl)morpholine (CAS 2375165-76-5)
- 6-chloro-2-fluoro-pyridin-3-ol (CAS 883107-68-4)
- 3-(3,4-Difluorophenyl)oxetan-3-amine (CAS 1500763-32-5)
- 2-(2-Fluorophenyl)-1-phenyl-1H-benzo[d]imidazole (CAS 863422-98-4)
- 7-Chloro-8-quinolinol (CAS 876-86-8)
- 3-Fluoro-4-methyl-N-neopentylaniline (CAS 1247780-25-1)
- Orniplabin Preparation and Separation of Impurity 3 (CAS CATO-CPS-2605003)
- β-Bag Cell Peptide (Aplysia californica) (CAS 109024-47-7)
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