5-Bromo-1,2,3-tri-tert-butylbenzene CAS 1951441-92-1
| CAS No. | 1951441-92-1 |
| Molecular Formula | C18H29Br |
| Molecular Weight | 325.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-Bromo-1,2,3-tri-tert-butylbenzene is closely related to bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-Bromo-1,2,3-tri-tert-butylbenzene (CAS 1951441-92-1), molecular formula C18H29Br and molecular weight 325.33 g/mol, is a CATO reference standard with documented purity and traceability.
5-Bromo-1,2,3-tri-tert-butylbenzene (C18H29Br) contains bromine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C18H29Br |
| Molecular Weight | 325.33 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | Br-containing |
Related Bromo Standards
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Recommended Standards
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- 4-Hydroxy-1-methylpiperidine-4-carboxylic acid (CAS 757127-21-2)
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- (S)-2-amino-2-(3,5-dichlorophenyl)ethan-1-ol (CAS 1213612-73-7)
- 5,6-Dimethyl-1-(prop-2-yn-1-yl)-1H-benzo[d]imidazole hydrochloride (CAS 1269151-95-2)
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