4,5-Dibromoisothiazole-3-carboxylic acid CAS 4576-87-8
| CAS No. | 4576-87-8 |
| Molecular Formula | C4HBr2NO2S |
| Molecular Weight | 286.93 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4,5-Dibromoisothiazole-3-carboxylic acid is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4,5-Dibromoisothiazole-3-carboxylic acid (CAS 4576-87-8) is a high-purity analytical reference standard with the molecular formula C4HBr2NO2S and a molecular weight of 286.93 g/mol.
Owing to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, 4,5-Dibromoisothiazole-3-carboxylic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 286.93 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
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 4,5-Dibromoisothiazole-3-carboxylic 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 | C4HBr2NO2S |
| Molecular Weight | 286.93 g/mol |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
- 3,5-Dichloro-4-iodotoluene (CAS 939990-12-2)
- 4-chloro-2-(chloromethyl)-1-iodobenzene (CAS 711017-73-1)
- 3,5-Dibromo-2-nitrothiophene (CAS 31845-01-9)
- BENZENE, 4-CHLORO-1-(CHLOROMETHYL)-2-IODO- (CAS 882689-32-9)
- 5-(3-Bromobenzylidene)-2-(4-propoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 618076-54-3)
- N2-(1,1,4,4-tetramethyldisilylazacyclopentanyl)-o6-benzyl-8-bromo-n9-[3’,5’-o-(1,1,3,3-tetrakis(isopropyl)-1,3-disiloxanediyl)-β-d-2’-deoxyribofuranosyl]guanine (CAS 328394-28-1)
- 1-(2-(sec-Butoxy)ethoxy)butane (CAS 185143-90-2)
- Methyl 1-cyclopentyl-1h-pyrazole-5-carboxylate (CAS 1328640-91-0)
- 8-Methyl-2-thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one (CAS 948575-59-5)
- 2-(Chloromethyl)-5-(methylsulfanyl)-1,3,4-thiadiazole (CAS 3914-48-5)
- 1-(3,5-Bis(trifluoromethyl)phenyl)-N-methylethan-1-amine (CAS 290297-43-7)
- Milrinone Impurity 32 (CAS CATO-C4X-109132)
- 6-Chloro-2-ethyl-1-methyl-1H-indole-3-carboxylic acid (CAS 1784299-01-9)
- Liraglutide Impurity 22 (CAS 536721-25-2)
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