Ethyl 2-bromo-3-fluorobenzoate CAS 1131040-49-7
| CAS No. | 1131040-49-7 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Ethyl 2-bromo-3-fluorobenzoate (C9H8BrFO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 247.06 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.
Ethyl 2-bromo-3-fluorobenzoate (CAS 1131040-49-7), molecular formula C9H8BrFO2 and molecular weight 247.06 g/mol, is a CATO reference standard with documented purity and traceability.
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), Ethyl 2-bromo-3-fluorobenzoate 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 | C9H8BrFO2 |
| Molecular Weight | 247.06 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/Br-containing |
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- Methyl 3-Bromo-5-fluoro-2-methylbenzoate (CAS 1187318-53-1)
Recommended Standards
- 8-(Bromomethyl)-6-fluoro-4h-benzo[d][1,3]dioxine (CAS 1165892-50-1)
- Methyl 2-bromo-5-fluoro-4-methylbenzoate (CAS 1204304-98-2)
- Methyl 4-bromo-2-fluoro-3-methylbenzoate (CAS 1206680-27-4)
- Ethyl 2-Bromo-6-fluorobenzoate (CAS 1214362-62-5)
- 2-Bromo-4-formylphenyl 4-acetamidobenzenesulfonate (CAS 432006-20-7)
- Ethyl 5-hydroxy-2-oxo-2H-chromene-3-carboxylate (CAS 70160-47-3)
- (R)-Benzyl 5-methyl-4-(5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl)-1,4-diazepane-1-carboxylate (CAS 1030377-31-1)
- 2-(3-(3-Fluorophenoxy)propyl)pyrrolidine (CAS 1247490-28-3)
- tert-Butyl 5-(benzyloxy)-3-methyl-1H-pyrazolo[3,4-b]pyridine-1-carboxylate (CAS 864775-97-3)
- 3-Cyclopropoxy-2-methoxy-6-(trifluoromethyl)pyridine (CAS 1243349-11-2)
- 1-(4-Chloro-5-(4-(trifluoromethyl)phenyl)thiophen-2-yl)ethan-1-one (CAS 1305253-00-2)
- 6-Amino-2-methyl-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one (CAS 337463-77-1)
- 2-Hydroxy-6-nitrobenzonitrile (CAS 72106-43-5)
- Semaglutide Impurity 176 (CAS CATO-C4X-2226176)
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