3-Bromo-4-chloro-benzoic acid ethyl ester CAS 76008-75-8
| CAS No. | 76008-75-8 |
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 263.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Bromo-4-chloro-benzoic acid ethyl ester (CAS 76008-75-8) is a high-purity analytical reference standard with the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol.
The molecular framework of 3-Bromo-4-chloro-benzoic acid ethyl ester (C9H8BrClO2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine/bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
As a certified reference material (CRM), 3-Bromo-4-chloro-benzoic acid ethyl ester 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 | C9H8BrClO2 |
| Molecular Weight | 263.52 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.) | 1978 |
| Halogen Content | Cl/Br-containing |
Related Bromo Standards
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- Ethyl 3-bromo-5-chlorobenzoate (CAS 1095274-55-7)
- 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethan-1-one (CAS 111841-05-5)
- Methyl 2-(2-Bromo-4-chlorophenyl)acetate (CAS 115871-49-3)
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- 1-(2-Bromo-4-methoxyphenyl)-2-chloroethan-1-one (CAS 1178445-77-6)
Recommended Standards
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- 5,6-Dihydroisoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione (CAS 91305-43-0)
- 2-(2-methoxy-5-nitro-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 677746-34-8)
- Tirzepatide Impurity 48 (CAS CATO-C4X-324048)
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