Methyl 3-bromo-5-(trifluoromethyl)benzoate CAS 187331-46-0
| CAS No. | 187331-46-0 |
| Molecular Formula | C9H6BrF3O2 |
| Molecular Weight | 283.04 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 Methyl 3-bromo-5-(trifluoromethyl)benzoate.
Methyl 3-bromo-5-(trifluoromethyl)benzoate (CAS 187331-46-0), molecular formula C9H6BrF3O2 and molecular weight 283.04 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 3-bromo-5-(trifluoromethyl)benzoate (C9H6BrF3O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), Methyl 3-bromo-5-(trifluoromethyl)benzoate 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 | C9H6BrF3O2 |
| Molecular Weight | 283.04 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.) | 2010 |
| Halogen Content | F/Br-containing |
Related Methyl Standards
- Methyl 2-bromo-5-(trifluoromethyl)benzoate (CAS 1026355-57-6)
- Methyl 4-Bromo-3-(trifluoromethyl)benzoate (CAS 107317-58-8)
- 4-Bromo-2-(2,2,2-trifluoroethoxy)benzaldehyde (CAS 1099630-09-7)
- 2-(2-Bromo-6-(trifluoromethyl)phenyl)acetic acid (CAS 1159512-50-1)
- 3-Bromo-5-(trifluoromethyl)phenylacetic acid (CAS 1161362-01-1)
- Methyl 3-bromo-2-(trifluoromethyl)benzoate (CAS 1214323-47-3)
- Methyl 2-bromo-6-(trifluoromethyl)benzoate (CAS 1214324-11-4)
- 2-(2-Bromo-5-(trifluoromethyl)phenyl)acetic acid (CAS 1214327-53-3)
Recommended Standards
- 1-(3-Bromo-2-methoxyphenyl)-2,2,2-trifluoroethan-1-one (CAS 1820639-77-7)
- 4-Bromo-3-methylphenyl 2,2,2-trifluoroacetate (CAS 1965304-84-0)
- 2-(3-Bromo-2-(trifluoromethyl)phenyl)acetic acid (CAS 1804874-07-4)
- 3-Bromo-5-(2,2,2-trifluoroethyl)benzoic acid (CAS 1965305-09-2)
- 2-chloranyl-3-iodanyl-5-methyl-pyridine 2-chloro-3-iodo-5-methylpyridine 59782-91-1 A832467 (CAS 59782-91-1)
- 2,5-Dioxopyrrolidin-1-yl 11-mercaptoundecanoate (CAS 240125-70-6)
- 3-(Pyridin-4-yl)-6-(trifluoromethyl)pyridine-2-thiol (CAS 1214362-98-7)
- N-(Heptan-2-yl)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (CAS 1303655-71-1)
- N1-(4-Fluorobenzyl)benzene-1,2-diamine (CAS 7191-70-0)
- 2-fluoro-5-methylpyridine-4-boronic acid (CAS 929194-41-2)
- 3-(Hexyloxy)propane-1-sulfonyl chloride (CAS 1498659-68-9)
- Ethyl 5-amino-3-methylisothiazole-4-carboxylate (CAS 34859-65-9)
- 5-(Cyclopentylthio)spiro[2.3]hexane-5-carboxylic acid (CAS 1490108-34-3)
- D-[Phe6]-Semaglutide (CAS CATO-C4X-2226213)
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