1-benzyl-2,3,3-trimethyl-3H-indol-1-ium bromide CAS 139417-75-7
| CAS No. | 139417-75-7 |
| Molecular Formula | C18H20N |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-benzyl-2,3,3-trimethyl-3H-indol-1-ium bromide.
1-benzyl-2,3,3-trimethyl-3H-indol-1-ium bromide (CAS 139417-75-7) is a high-purity analytical reference standard with the molecular formula C18H20NBr and a molecular weight of 330.27 g/mol.
Based on its molecular formula C18H20NBr, 1-benzyl-2,3,3-trimethyl-3H-indol-1-ium bromide contains a nitrogen-containing heterocyclic scaffold, a nitrile group, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 330.27 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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-benzyl-2,3,3-trimethyl-3H-indol-1-ium bromide 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 | C18H20N Br |
| Molecular Weight | 330.27 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| 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.) | 1996 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 2-Carbamoylphenyl acetate (CAS 5663-71-8)
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- 5-Bromo-2-(chloromethyl)-1H-imidazole (CAS 2169055-08-5)
- (3S,4S)-1-Benzyl-4-[(tert-butyldimethylsilyl)oxy]pyrrolidin-3-ol (CAS 201601-50-5)
- 3-(Phenoxymethyl)aniline (CAS 93189-16-3)
- (3-Bromo-2-(difluoromethyl)-6-fluoropyridin-4-yl)methanamine (CAS 1805396-88-6)
- Benzyl cyclopent-3-en-1-ylcarbamate (CAS 170708-34-6)
- 2-(2,2-Difluoroethanesulfonyl)benzoic acid (CAS 1178636-79-7)
- Semaglutide Impurity 146 (CAS 2645421-68-5)
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