Methyl 1-(4-chlorobenzoyl)-1H-pyrrole-2-carboxylate CAS 866154-29-2
| CAS No. | 866154-29-2 |
| Molecular Formula | C13H10ClNO3 |
| Molecular Weight | 263.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 1-(4-chlorobenzoyl)-1H-pyrrole-2-carboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 1-(4-chlorobenzoyl)-1H-pyrrole-2-carboxylate (CAS 866154-29-2) is a high-purity analytical reference standard with the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol.
Methyl 1-(4-chlorobenzoyl)-1H-pyrrole-2-carboxylate (C13H10ClNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C13H10ClNO3 |
| Molecular Weight | 263.68 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 sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 4-(4-Chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide (CAS 303995-91-7)
- 4-(4-Chlorobenzoyl)benzoic acid (CAS 6269-37-0)
- 2-(5-(4-Chlorobenzoyl)thiophen-2-yl)acetonitrile (CAS 338422-77-8)
- 3-(4-chlorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (CAS 1009353-35-8)
- 1-(4-Chlorobenzoyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid (CAS 1373246-95-7)
- 1-(2-Chlorobenzoyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid (CAS 1373247-16-5)
- 3-(4-Chlorobenzoyl)isonicotinic acid (CAS 74975-29-4)
- 5-(4-Chlorobenzoyl)-1,3-dioxaindane (CAS 1096987-61-9)
Recommended Standards
- Ethyl 4-chloro-2-(pyridin-4-yl)pyrimidine-5-carboxylate (CAS 204394-36-5)
- Methyl 3-[(6-chloropyridin-2-yl)oxy]benzoate (CAS 866150-88-1)
- Ethyl 4-chloro-2-(pyridin-3-yl)pyrimidine-5-carboxylate (CAS 34775-04-7)
- N-(2-chlorobenzyl)-3-nitropyridin-2-amine (CAS 339028-02-3)
- 2,6-Dimethoxyphenol (CAS 91-10-1)
- cis-3-(Benzyloxy)cyclobutyl 4-methylbenzenesulfonate (CAS 1262278-62-5)
- 2-[(4-Hydroxyquinazolin-2-yl)sulfanyl]acetic acid (CAS 16431-29-1)
- 1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CAS 55307-37-4)
- N-(4,5,6,7-Tetrahydro-2H-indazol-5-yl)acetamide (CAS 74197-10-7)
- 2-(2-Bromophenyl)-1,3-thiazole-4-carboxylic acid (CAS 955400-49-4)
- 1-(3-Chlorophenyl)-4-(3-(trifluoromethyl)phenyl)-1H-pyrazol-5-amine (CAS 324008-97-1)
- (Z)-2-((Methylthio)methyl)-3-phenylacrylaldehyde (CAS 1374790-21-2)
- Hylambatin (CAS 80890-46-6)
- Peptide 6A (H-6905.0005) (CAS 73549-32-3)
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