3-Bromo-2-cyano-4-(trifluoromethyl)benzoic acid CAS 1805186-52-0
| CAS No. | 1805186-52-0 |
| Molecular Formula | C9H3BrF3NO2 |
| Molecular Weight | 294.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Bromo-2-cyano-4-(trifluoromethyl)benzoic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Bromo-2-cyano-4-(trifluoromethyl)benzoic acid (CAS 1805186-52-0) is a high-purity analytical reference standard with the molecular formula C9H3BrF3NO2 and a molecular weight of 294.02 g/mol.
3-Bromo-2-cyano-4-(trifluoromethyl)benzoic acid (C9H3BrF3NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
CATO manufactures 3-Bromo-2-cyano-4-(trifluoromethyl)benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H3BrF3NO2 |
| Molecular Weight | 294.02 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
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- 3-Bromo-6-cyano-2-(trifluoromethyl)benzoic acid (CAS 1805101-03-4)
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Recommended Standards
- ((2-Bromothiazol-4-yl)difluoromethyl)phosphonic acid (CAS 2694728-11-3)
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- 2-iodo-1,3-dinitrobenzene (CAS 26516-42-7)
- 2-Fluoro-3-formyl-5-iodobenzoic acid (CAS 2387023-24-5)
- 5-(2-Thienylmethylene)-1,3-thiazolidine-2,4-dione (CAS 139336-31-5)
- 2-(Furan-2-yl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carboxylic acid (CAS 941096-30-6)
- Ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate (CAS 1190897-26-7)
- 3,4-Dibromo-1,1'-biphenyl (CAS 60108-72-7)
- 5-Ethyl-2-methoxy-6-methylpyrimidin-4-ol (CAS 55996-09-3)
- Peptide Impurity 06 (CAS CATO-CPTD788806)
- 5,6-Dimethyl-2-(pyridin-4-yl)-1H-benzo[d]imidazole (CAS 64263-00-9)
- N'-(Diphenylmethylidene)-2-(naphthalen-2-yloxy)acetohydrazide (CAS 341967-98-4)
- Ethyl 2-((2,5-dichlorophenyl)thio)propanoate (CAS 1248500-70-0)
- Semaglutide impurity 65 (CAS CATO-C4X-222665)
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