2-Bromo-3-cyano-4-((trifluoromethyl)thio)benzoic acid CAS 1805119-57-6
| CAS No. | 1805119-57-6 |
| Molecular Formula | C9H3BrF3NO2S |
| Molecular Weight | 326.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies 2-Bromo-3-cyano-4-((trifluoromethyl)thio)benzoic acid (CAS 1805119-57-6), a certified reference material (molecular formula C9H3BrF3NO2S, MW 326.09 g/mol) for analytical method development and quality control.
Based on its molecular formula C9H3BrF3NO2S, 2-Bromo-3-cyano-4-((trifluoromethyl)thio)benzoic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 326.09 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
As a certified reference material (CRM), 2-Bromo-3-cyano-4-((trifluoromethyl)thio)benzoic acid 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 | C9H3BrF3NO2S |
| Molecular Weight | 326.09 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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 |
| Sulfur Atoms | 1 |
Related Bromo Standards
- 2-Bromo-4-cyano-3-((trifluoromethyl)thio)benzoic acid (CAS 1805023-47-5)
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Recommended Standards
- 2-(4-Hydroxy-3-iodo-5-methoxybenzylidene)malononitrile (CAS 27389-84-0)
- 1-(bromomethyl)-4-(2,2-difluoroethoxy)-5-methoxy-2-nitrobenzene (CAS 1184388-87-1)
- 2,5-Diphosphonoterephthalic acid (CAS 223519-93-5)
- Methyl 4-(1,1-difluoroethyl)-2-iodobenzoate (CAS 299173-17-4)
- Tert-butyl 5,8-diazaspiro[2.6]Nonane-5-carboxylate (CAS 1822802-10-7)
- O-Demethylforbexanthone (CAS 92609-77-3)
- 1-Chloro-2-fluoro-3-(trifluoromethoxy)benzene (CAS 1404194-53-1)
- 1-(1-methyl-3-phenyl-1H-pyrazol-5-yl)ethan-1-one (CAS 1420893-51-1)
- (2-(3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazol-4-yl)(4-phenylpiperazin-1-yl)methanone (CAS 955976-76-8)
- (1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl)methanol (CAS 618444-42-1)
- Ethyl 1-(2-fluoroethyl)-1H-pyrazole-5-carboxylate (CAS 1198437-41-0)
- tert-Butyl 1-Hydroxy-3,6,9,12-tetraoxapentadecan-15-oate 518044-32-1 MFCD11041117 SY122495 (CAS 518044-32-1)
- 1-Bromo-5-chloro-3-fluoro-2-methylbenzene (CAS 1082040-50-3)
- [y-Glu3]-Semaglutide Impurity 135 (CAS CATO-C4X-2226135)
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