3-Acetyl-5-bromobenzoic acid methyl ester CAS 444992-78-3
| CAS No. | 444992-78-3 |
| Molecular Formula | C10H9BrO3 |
| Molecular Weight | 257.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Acetyl-5-bromobenzoic acid methyl ester (C10H9BrO3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; 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.
3-Acetyl-5-bromobenzoic acid methyl ester (CAS 444992-78-3) is a high-purity analytical reference standard with the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol.
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 | C10H9BrO3 |
| Molecular Weight | 257.08 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
Related Acetyl Standards
- 5-Acetyl-2-bromobenzoic acid (CAS 1612219-56-3)
- 2-Acetyl-4-bromobenzoic acid (CAS 741698-90-8)
- 3-Acetyl-5-bromobenzoic acid (CAS 258273-37-9)
- 4-Acetyl-2-bromobenzoic acid (CAS 93273-64-4)
- 24398-88-7 3-BROMOBENZOIC ACID ETHYL ESTER AS03589 Ethyl 3-bromobenzoate M-BROMO BENZOIC ACID ETHYL ESTER RARECHEM AL BI 0052 (CAS 24398-88-7)
- 2-METHYL-3-BROMOBENZOIC ACID 3-BROMO-2-METHYLBENZOIC ACID 3-BROMO-O-TOLUIC ACID 76006-33-2 BC002816 BENZOIC ACID, 3-BROMO-2-METHYL- (CAS 76006-33-2)
- 4-Bromobenzoic acid 2-cyclohexylidenehydrazide (CAS 304478-23-7)
- 2-Bromobenzoic acid-phenyl-<SUP>13</SUP>C<SUB>6</SUB> (CAS 1173019-03-8)
Recommended Standards
- 2-Oxopropyl 4-bromobenzoate (CAS 900937-58-8)
- 3-Bromo-4-oxo-4-phenylbutanoic Acid (CAS 53515-22-3)
- 2-Bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone (CAS 4629-54-3)
- 3-Bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine (CAS 882033-34-3)
- 2-(Methylthio)-1-(o-tolyl)ethan-1-one (CAS 132310-49-7)
- 3-Bromo-6-(difluoromethyl)-2-iodopyridin-4-amine (CAS 1805087-06-2)
- 1-(2-Chlorophenyl)-4,4-difluorobutane-1,3-dione (CAS 1039923-96-0)
- Forsythoside B (CAS 81525-13-5)
- 2-Bromo-2,5-dichloroacetophenone (CAS 4571-25-9)
- Mianserin impurity 40 (CAS CATO-C4X-136940)
- 2-([1,1'-Biphenyl]-2-yloxy)acetic acid (CAS 5348-75-4)
- 4-Anisaldehyde-13C6 (CAS 1189441-55-1)
- Ethyl 2,5-dibromo-3,6-difluorophenylacetate (CAS 1806273-37-9)
- Peptide Impurity 41 (CAS CATO-CPTD788841)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com