5-Bromo-1-tert-butyl-2,3-dimethoxybenzene, 97% CAS 168985-94-2
| CAS No. | 168985-94-2 |
| Molecular Formula | C12H17BrO2 |
| Molecular Weight | 273.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Bromo-1-tert-butyl-2,3-dimethoxybenzene, 97% (CAS 168985-94-2) is a high-purity analytical reference standard with the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol.
Structurally, 5-Bromo-1-tert-butyl-2,3-dimethoxybenzene, 97% (C12H17BrO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 273.17 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.
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 | C12H17BrO2 |
| Molecular Weight | 273.17 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2005 |
| Halogen Content | Br-containing |
Related Bromo Standards
- 5′-bromo-2,2′-bithiophene-5-carbaldehyde (CAS 110046-60-1)
- 3-Bromo-9,9-dimethyl-9H-fluorene (CAS 1190360-23-6)
- N-(5-Bromo-3-methyl-2-pyridinyl)-N-(3-ethoxypropyl)amine (CAS 1220019-52-2)
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- 1-bromo-9,9-dimethyl-9H-Fluorene (CAS 1225053-54-2)
- 1-(2-Bromo-1-propoxyethyl)-2-methoxybenzene (CAS 1247358-09-3)
- 1-(2-Bromo-1-(2-methoxyethoxy)ethyl)-3-methylbenzene (CAS 1248355-74-9)
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Recommended Standards
- 2,2,2-trifluoroethyl N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamate (CAS 1482630-83-0)
- 1-Bromo-3-(3-isopropoxypropoxy)benzene (CAS 1704069-24-8)
- 1,1,1,3,3,3-Hexafluoro-2-(4-(methylamino)phenyl)propan-2-ol (CAS 1481-11-4)
- 4-(5-Bromothiophen-2-yl)pyrimidine-2-thiol (CAS 175202-82-1)
- (3-Cyclopropylpyridin-2-yl)methanamine (CAS 1256816-54-2)
- 1-(3-bromophenyl)-4-ethyl-3,5-dimethyl-1H-pyrazole (CAS 1292926-60-3)
- 2-Propenoic acid, ethyl ester, polymer with N-(hydroxymethyl)-2-propenamide and N-[(2-methylpropoxy)methyl]-2-propenamide (CAS 71799-77-4)
- Vildagliptin Impurity 35 (CAS CATO-C4X-110035)
- Deshydroxyethoxy Ticagrelor-d7 (CAS CATO-CCAD302899)
- 2-(4-Acetylpiperazin-1-yl)butanoic acid (CAS 1218421-62-5)
- 3-Nitrophenylacetylene (CAS 3034-94-4)
- 1-(3,5-Dichlorophenyl)biguanide hydrochloride (CAS 175205-04-6)
- 5,7-Dimethyl-2h-chromene-3-sulfonyl chloride (CAS 1235440-62-6)
- Insulin Degludec Impurity 28 (CAS CATO-C4X-215728)
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