3-((5-(5-Chloro-2-hydroxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid CAS 491582-40-2
| CAS No. | 491582-40-2 |
| Molecular Formula | C18H13ClN2O4S |
| Molecular Weight | 388.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-((5-(5-Chloro-2-hydroxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-((5-(5-Chloro-2-hydroxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid (CAS 491582-40-2), molecular formula C18H13ClN2O4S and molecular weight 388.82 g/mol, is a CATO reference standard with documented purity and traceability.
3-((5-(5-Chloro-2-hydroxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid (C18H13ClN2O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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.
Physical & Chemical Properties
| Molecular Formula | C18H13ClN2O4S |
| Molecular Weight | 388.82 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- Methyl 3-(2-(2-((4-chlorophenyl)amino)-2-oxoacetyl)-1H-pyrrol-1-yl)thiophene-2-carboxylate (CAS 477857-80-0)
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- N-(4-(3-chlorothiophen-2-yl)thiazol-2-yl)-3-(trifluoromethyl)benzamide (CAS 478260-67-2)
- 【禁售不询】Zopiclone (CAS 43200-80-2)
- 5-Chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one (CAS 1190318-22-9)
- BDP TR amine (CAS 514216-43-4)
- Tert-butyl n-[(n'-hydroxycarbamimidoyl)(2-methoxyphenyl)methyl]carbamate (CAS 1306615-56-4)
- Finerenone Impurity 210 (CAS CATO-C4X-2880210)
- (S)-2-(4-fluoro-2-nitrophenyl)pyrrolidine (CAS 1213201-84-3)
- 5-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CAS 1190319-23-3)
- 2-Phenylpyridine-3-carbonitrile (CAS 39065-49-1)
- 2-methoxy-8-methyl-1,5-naphthyridine (CAS 264232-60-2)
- 3-Cyclopentyl-1-(2-methylpiperazin-1-yl)propan-1-one (CAS 1240566-15-7)
- Tau Peptide (306-336) (Repeat 3 Domain) trifluoroacetate salt (CAS 330456-26-3)
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