Methyl 5-(4-bromobenzyl)-1H-pyrrole-2-carboxylate CAS 1706455-47-1
| CAS No. | 1706455-47-1 |
| Molecular Formula | C13H12BrNO2 |
| Molecular Weight | 294.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 294.14 g/mol gives Methyl 5-(4-bromobenzyl)-1H-pyrrole-2-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 5-(4-bromobenzyl)-1H-pyrrole-2-carboxylate (CAS 1706455-47-1), molecular formula C13H12BrNO2 and molecular weight 294.14 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 5-(4-bromobenzyl)-1H-pyrrole-2-carboxylate (C13H12BrNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine 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 294.14 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures Methyl 5-(4-bromobenzyl)-1H-pyrrole-2-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H12BrNO2 |
| Molecular Weight | 294.14 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 | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- Ethyl 6-bromo-1,4-dioxa-8-azaspiro[4.5]Decane-8-carboxylate (CAS 160488-61-9)
- 4-(Benzyloxy)-5-bromo-1-methylpyridin-2(1H)-one (CAS 1798821-58-5)
- 1-(Difluoromethyl)-6-fluoronaphthalene (CAS 1261676-49-6)
- Sodium (±)-10-Camphorsulfonate (CAS 34850-66-3)
- (R)-tert-Butyl 3-(pyridin-3-yl)piperazine-1-carboxylate (CAS 1240584-97-7)
- (S)-2-Amino-4-borono-2-methylbutanoic acid (CAS 799842-95-8)
- 4,5,6-Trimethylpyrimidin-2-ol (CAS 65133-47-3)
- N,N-Diethylmethylamine (CAS 616-39-7)
- 2-(4-Chlorophenyl)-2-oxoethyl 2-(4-heptylphenyl)-8-methylquinoline-4-carboxylate (CAS 355433-26-0)
- n-Cyclopropyl-N-methyl-6-azaspiro[2.5]octane-1-carboxamide (CAS 1340567-79-4)
- 2-Hydroxy-4-isopropyl-N,N-dimethylbenzamide (CAS 1243279-87-9)
- Neuroendocrine Regulatory Peptide-4 (human, mouse, rat) (H-7266.1000) (CAS 922704-18-5)
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