5-Bromo-1-(2-chloro-4-methylphenyl)-1H-pyrrole-2-carbonitrile CAS 142045-00-9
| CAS No. | 142045-00-9 |
| Molecular Formula | C12H8BrClN2 |
| Molecular Weight | 295.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Bromo-1-(2-chloro-4-methylphenyl)-1H-pyrrole-2-carbonitrile (CAS 142045-00-9), molecular formula C12H8BrClN2 and molecular weight 295.56 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H8BrClN2, 5-Bromo-1-(2-chloro-4-methylphenyl)-1H-pyrrole-2-carbonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 295.56 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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), 5-Bromo-1-(2-chloro-4-methylphenyl)-1H-pyrrole-2-carbonitrile 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 | C12H8BrClN2 |
| Molecular Weight | 295.56 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 DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 2 |
Related Bromo Standards
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Recommended Standards
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- Benzalkonium Chloride impurity 7 (CAS 14727-68-5)
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- ortho-Methoxytopolin (CAS 75737-41-6)
- 4-(Methanesulfonylmethyl)-5-methylthiophene-2-carboxylic acid (CAS 1394040-61-9)
- 3-(2-Chlorobenzoyl)-4-(4-chlorophenyl)-1-methylpyrrolidine (CAS 343374-80-1)
- (4-Bromo-3-methylphenyl)propylamine (CAS 1019487-84-3)
- Ethyl cyano(cyclohexyl)acetate (CAS 3213-50-1)
- 299405-25-7 (5-Methyl-3,4-dinitro-1H-pyrazol-1-yl)acetic acid MFCD00682554 (CAS 299405-25-7)
- Thymopoietin II Peptide Fragment (CAS 56795-64-3)
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