4-Bromo-3-cyano-2-(difluoromethyl)benzoic acid CAS 1804385-47-4
| CAS No. | 1804385-47-4 |
| Molecular Formula | C9H4BrF2NO2 |
| Molecular Weight | 276.03 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Bromo-3-cyano-2-(difluoromethyl)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.
4-Bromo-3-cyano-2-(difluoromethyl)benzoic acid (CAS 1804385-47-4) is a high-purity analytical reference standard with the molecular formula C9H4BrF2NO2 and a molecular weight of 276.03 g/mol.
4-Bromo-3-cyano-2-(difluoromethyl)benzoic acid (C9H4BrF2NO2) 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 4-Bromo-3-cyano-2-(difluoromethyl)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 | C9H4BrF2NO2 |
| Molecular Weight | 276.03 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
- 4-Bromo-2-(trifluoromethyl)thiazole-5-carboxylic acid (CAS 1445906-51-3)
- 5-Bromo-2-(trifluoromethyl)thiazole-4-carboxylic acid (CAS 1449369-38-3)
- 2-Bromo-4-(trifluoromethyl)thiazole-5-carboxylic Acid (CAS 162651-07-2)
- 5-Bromo-3-(trifluoromethyl)isothiazole-4-carboxylic acid (CAS 1628451-87-5)
- 5-Bromo-4,6-difluoro-1H-indole-3-carboxylic acid, 97% (CAS 1638764-78-9)
- 3-Bromo-2-cyano-4-(difluoromethyl)benzoic acid (CAS 1804385-37-2)
- 4-Bromo-5-cyano-2-(difluoromethyl)benzoic acid (CAS 1805018-79-4)
- 3-Bromo-2-cyano-5-(difluoromethyl)benzoic acid (CAS 1805213-90-4)
Recommended Standards
- 2-Amino-5-iodo-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one (CAS 163622-51-3)
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- 3-Bromo-5-cyano-2-(difluoromethyl)benzoic acid (CAS 1805411-87-3)
- 3-Bromo-4-cyano-2-(difluoromethyl)benzoic acid (CAS 1805480-98-1)
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