5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone CAS 748777-47-1
| CAS No. | 748777-47-1 |
| Molecular Formula | C9H5ClN2O3S |
| Molecular Weight | 256.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
CATO supplies 5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone (CAS 748777-47-1), a certified reference material (molecular formula C9H5ClN2O3S, MW 256.67 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, 5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 256.67 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
Physical & Chemical Properties
| Molecular Formula | C9H5ClN2O3S |
| Molecular Weight | 256.67 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 5-(4-Chloro-3-nitrophenyl)-1,3,4-thiadiazol-2-amine (CAS 109702-87-6)
- 5-(2-Chloro-4-nitrophenyl)-1,3,4-thiadiazol-2-amine (CAS 383130-87-8)
- 5-(2-Chloro-5-nitrophenyl)-1,3,4-thiadiazol-2-amine (CAS 299936-71-3)
- Ethyl 3-(5-chloro-2-methoxyphenyl)-3-oxopropanoate (CAS 104029-20-1)
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