Methyl 5-Chloro-1H-pyrrole-3-carboxylate CAS 79600-76-3
| CAS No. | 79600-76-3 |
| Molecular Formula | C6H6ClNO2 |
| Molecular Weight | 159.57 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-Chloro-1H-pyrrole-3-carboxylate (CAS 79600-76-3), molecular formula C6H6ClNO2 and molecular weight 159.57 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 5-Chloro-1H-pyrrole-3-carboxylate (C6H6ClNO2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C6H6ClNO2 |
| Molecular Weight | 159.57 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 2-(4-Chloro-1H-pyrazol-1-yl)acetamide (CAS 1006506-31-5)
- 6-Chloro-4-methoxypyridine-2(1H)-one (CAS 108279-65-8)
- 3-Chloro-5-methoxypyridine 1-oxide (CAS 110038-48-7)
- 5-Chloro-1-methyl-1H-pyrazole-4-carboxamide (CAS 110763-18-3)
- Methyl 4-chloro-1H-pyrrole-2-carboxylate (CAS 1194-96-3)
- 2-Chloro-6-methoxypyridin-3-ol (CAS 1196145-59-1)
- 6-Chloro-2-methoxypyridin-3-ol (CAS 1196146-98-1)
- 4-Chloro-6-methoxypyridin-3-ol (CAS 1196152-16-5)
Recommended Standards
- Methyl 3-chloro-1H-pyrrole-2-carboxylate (CAS 226410-00-0)
- 3,5-Dimethylisoxazole-4-carbonyl chloride 3,5-dimethyl-1,2-oxazole-4-carbonyl chloride 3,5-dimethylisoxasole-4-carbonyl chloride 3,5-dimethylisoxazole-4-carbonylchloride 31301-45-8 (CAS 31301-45-8)
- dimethyl-1,3-oxazole-5-carbonyl chloride (CAS 69695-18-7)
- 4-Amino-6-chloro-2-methoxypyrimidine 3286-55-3 6-Chloro-2-methoxypyrimidin-4-amine (CAS 3286-55-3)
- 6-(Bromomethyl)-9H-purine (CAS 14225-98-0)
- 2-Bromo-6-[(1E)-{[(4-chlorophenyl)methyl]imino}methyl]-4-methoxyphenol (CAS 477848-39-8)
- 2-(2-Chlorobenzo[d]oxazol-5-yl)acetonitrile (CAS 1803803-44-2)
- 1-(2-Ethylphenyl)-2-(methylamino)ethan-1-ol (CAS 1310265-65-6)
- 4-((1,3-Dioxolan-2-yl)methyl)pyridine (CAS 760211-59-4)
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- 3-(2-Iodoethyl)-7-methoxybenzofuran (CAS 796851-87-1)
- 2-(1-(Phenethylamino)ethyl)quinazolin-4(3H)-one (CAS 143993-21-9)
- 3-(4-Chloro-phenyl)-pyrrolidine (CAS 120418-62-4)
- Heme iron polypeptide(Hematin) (CAS 14875-96-8)
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