1-[1-(2H-1,3-Benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloroethan-1-one CAS 383147-46-4
| CAS No. | 383147-46-4 |
| Molecular Formula | C13H8Cl3NO3 |
| Molecular Weight | 332.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-[1-(2H-1,3-Benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloroethan-1-one 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.
1-[1-(2H-1,3-Benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloroethan-1-one (CAS 383147-46-4), molecular formula C13H8Cl3NO3 and molecular weight 332.57 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-[1-(2H-1,3-Benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloroethan-1-one (C13H8Cl3NO3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), 1-[1-(2H-1,3-Benzodioxol-5-yl)-1H-pyrrol-2-yl]-2,2,2-trichloroethan-1-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H8Cl3NO3 |
| Molecular Weight | 332.57 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related H Standards
- 4-[(2H-1,3-Benzodioxol-5-yl)methyl]-7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-one (CAS 1326898-06-9)
- 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1,3-thiazole-5-carbaldehyde (CAS 866040-49-5)
- 7-(2H-1,3-Benzodioxol-5-yl)-2-pentyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CAS 685108-56-9)
- 3-(2H-1,3-Benzodioxol-5-yl)-1-[(4-tert-butylphenyl)methyl]-1H-pyrazole (CAS 956961-84-5)
- 7-(2H-1,3-Benzodioxol-5-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CAS 860650-37-9)
- 2-{5-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazol-3-yl}pyrazine (CAS 1775309-69-7)
- 4-(2H-1,3-Benzodioxol-5-yl)-2-sulfanylidene-1H,2H,3H,4H,5H-indeno[1,2-d]pyrimidin-5-one (CAS 691870-04-9)
- 3-(1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid (CAS 439096-88-5)
Recommended Standards
- 3-(2-Amino-4,5-dichlorophenoxy)-2-chlorobenzoic acid (CAS 19191-36-7)
- 2,4,6-Trichloro-N-(3-methoxyphenyl)pyrimidine-5-carboxamide (CAS 87847-99-2)
- 1-(2,4,6-Trichlorophenyl)-3-propeneamido-5-pyrazolone (CAS 15957-48-9)
- 3-(Methyl(2,5,6-trichloropyrimidin-4-yl)amino)benzoic acid (CAS 6372-19-6)
- 2-(4-Bromophenoxy)-N,N-dimethylethanamine (CAS 2474-07-9)
- 1-(2-Methoxyethyl)-1H-pyrazole-4,5-diamine (CAS 439902-06-4)
- 2-bromo-1-(pyrimidin-2-yl)ethan-1-one hydrobromide (CAS 1588441-02-4)
- 1-(Bromomethyl)-1-(hexyloxy)cyclopentane (CAS 1247197-57-4)
- Z-Tyr-OtBu (CAS 16881-33-7)
- n-(M-tolyl)benzo[d]thiazol-2-amine (CAS 70785-25-0)
- N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetamide (CAS 478042-62-5)
- 1-(5-Bromo-3-(ethylthio)pyridin-2-yl)ethan-1-one (CAS 1923783-99-6)
- 4-(tert-Butyl)-2-cyclopropoxy-1-fluorobenzene (CAS 1243345-50-7)
- Semaglutide impurity 74 (CAS CATO-C4X-222674)
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