3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol CAS 1218789-50-4
| CAS No. | 1218789-50-4 |
| Molecular Formula | C12H16BBrO3 |
| Molecular Weight | 298.97 g/mol |
| 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 3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.
3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS 1218789-50-4) is a high-purity analytical reference standard with the molecular formula C12H16BBrO3 and a molecular weight of 298.97 g/mol.
Structurally, 3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (C12H16BBrO3) 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 4.5, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 298.97 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C12H16BBrO3 |
| Molecular Weight | 298.97 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Br-containing |
Related Bromo Standards
- 2-Bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS 1431330-20-9)
- 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS 1431330-24-3)
- 5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CAS 1449301-71-6)
- (2-Bromo-4-(4-methylpiperazin-1-yl)phenyl)boronic acid (CAS 2225171-86-6)
- (5-Bromo-6-(2-methylpiperidin-1-yl)pyridin-3-yl)boronic acid (CAS 2225152-16-7)
- (5-Bromo-6-(3-methylpiperidin-1-yl)pyridin-3-yl)boronic acid (CAS 2225153-60-4)
- (5-Bromo-6-(4-methylpiperidin-1-yl)pyridin-3-yl)boronic acid (CAS 2225174-38-7)
- 2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine (CAS 2223028-67-7)
Recommended Standards
- 3-Amino-1-(4,5-dibromofuran-2-yl)propan-1-ol (CAS 1512169-33-3)
- 3,5-Dibromo-1-(2-ethoxyethyl)-1H-1,2,4-triazole (CAS 1240579-95-6)
- 5-Chloro-2,2,3,3,4,4,5,5-octafluoropentanoylchloride (CAS 3110-03-0)
- Ethyl 2-bromo-3,5-dichloroisonicotinate (CAS 1807009-32-0)
- 4-Amino-6-chloro-5-fluoronicotinic acid (CAS 2454491-15-5)
- N5,N5-Dimethyl-2,5-pyridinediamine dihydrochloride (CAS 1211513-26-6)
- (3-Chloro-4-(dipropylcarbamoyl)phenyl)boronic acid (CAS 2096338-28-0)
- 1-(3-Fluoro-2-methylbenzyl)piperidin-4-amine dihydrochloride (CAS 1286274-90-5)
- 1-(3,5-Difluorophenyl)pyrrolidin-3-amine (CAS 1096335-32-8)
- 2-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-propanoic Acid 2-Hydroxyethyl Ester 258831-78-6 SU-5402 2-Hydroxyethyl Ester (CAS 258831-78-6)
- 2-(2-Methoxyethyl)pyrimidine-5-carbaldehyde (CAS 876717-41-8)
- 3-chloro-5,6-dimethyl-pyrazin-2-amine (CAS 39213-71-3)
- 2-Chloro-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyrimidine (CAS 1956341-36-8)
- Hexapeptide-11 (CAS 161258-30-6)
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