1-(2-Chloro-4-fluorobenzyl)-1H-pyrrole-3-carboxylic acid CAS 1538774-36-5
| CAS No. | 1538774-36-5 |
| Molecular Formula | C12H9ClFNO2 |
| Molecular Weight | 253.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 1-(2-Chloro-4-fluorobenzyl)-1H-pyrrole-3-carboxylic acid (CAS 1538774-36-5), a certified reference material (molecular formula C12H9ClFNO2, MW 253.66 g/mol) for analytical method development and quality control.
Based on its molecular formula C12H9ClFNO2, 1-(2-Chloro-4-fluorobenzyl)-1H-pyrrole-3-carboxylic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 253.66 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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-(2-Chloro-4-fluorobenzyl)-1H-pyrrole-3-carboxylic acid 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 | C12H9ClFNO2 |
| Molecular Weight | 253.66 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 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.) | 1992 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
- Methyl 3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylate (CAS 100784-27-8)
- 3-(2-Chloro-6-fluoroquinolin-3-yl)propanoic acid (CAS 1017378-60-7)
- 1-(2-Chloro-6-fluorobenzyl)-1H-pyrrole-3-carboxylic acid (CAS 1500987-02-9)
- 2-Chloro-5-fluoro-n-(2-methoxyphenyl)-4-pyrimidinamine (CAS 727422-01-7)
- 2-Chloro-n-(3-cyclopropyl-1h-pyrazol-5-yl)-5-fluoropyrimidin-4-amine (CAS 851434-98-5)
- 4-Chloro-1-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide (CAS 318949-30-3)
- Ethyl 3-chloro-8-fluoroquinoline-6-carboxylate (CAS 2721375-38-6)
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Recommended Standards
- 5-(Azetidin-3-yl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole (CAS 1706462-19-2)
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- (R)-3-Methoxypyrrolidine (CAS 120099-60-7)
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- 2-Chloro-3-methylbenzamide (CAS 857000-86-3)
- Methyl 4-(3-{[(tert-butoxy)carbonyl]amino}propoxy)-2-hydroxybenzoate (CAS 162045-32-1)
- (5-Fluoro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)boronic acid (CAS 1313426-14-0)
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