4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4H)-one CAS 17975-47-2
| CAS No. | 17975-47-2 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4H)-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4H)-one (CAS 17975-47-2), a certified reference material (molecular formula C11H8ClNO2, MW 221.64 g/mol) for analytical method development and quality control.
The molecular framework of 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4H)-one (C11H8ClNO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
As a certified reference material (CRM), 4-(4-Chlorobenzylidene)-3-methylisoxazol-5(4H)-one 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 | C11H8ClNO2 |
| Molecular Weight | 221.64 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1962 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorobenzylidene Standards
- (Z)-4-(4-chlorobenzylidene)-2-methyloxazol-5(4h)-one (CAS 93634-55-0)
- 4-(3-Chlorobenzylidene)-2-methyloxazol-5(4H)-one (CAS 57689-69-7)
- 4-(4-Chlorobenzylidene)-2-methyl-5-oxazolone (CAS 3237-71-6)
- N-(4-Chlorobenzylidene)-5-methylisoxazol-3-amine (CAS 88812-63-9)
- 3-(4-Chlorobenzylidene)pentane-2,4-dione (CAS 19411-75-7)
- 3-(4-(4-Chlorobenzylidene)-2,3-dioxopyrrolidin-1-yl)propanoic acid (CAS 76628-85-8)
- 2-(4-Chlorobenzylidene)hydrazine-1-carbothioamide (CAS 5706-80-9)
- N-(4-Chlorobenzylidene)-3-methylaniline (CAS 99484-19-2)
Recommended Standards
- Methyl 4-Chloroquinoline-7-carboxylate (CAS 178984-69-5)
- (E)-N'-(4-chlorobenzylidene)-2-cyanoacetohydrazide (CAS 180793-13-9)
- 2-(2-Chloroquinolin-3-yl)acetic acid (CAS 1710643-90-5)
- 4-Chloro-2-methylquinoline-6-carboxylic acid (CAS 181189-02-6)
- 2-[2-(2-Ethoxyphenoxy)ethyl]piperidinehydrochloride (CAS 1220019-12-4)
- N-(4-amino-2-methoxyphenyl)pentanamide (CAS 461656-44-0)
- methyl 3-methyl-5-oxohexanoate (CAS 14983-18-7)
- Cefdinir CP Impurity H Sodium Salt (CAS CATO-C4X-121078)
- 4-[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-tetrahydrofuran-3-yl]oxy-4-oxo-butanoic acid (CAS 2294880-67-2)
- Epinephrine /Adrenaline Impurity 118 (CAS CATO-C4X-1849118)
- 3-(Benzylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one (CAS 51924-73-3)
- tert-Butyl (R)-2-(tert-butyl)piperazine-1-carboxylate hydrochloride (CAS 1381958-53-7)
- 4-bromo-1-methyl-1H-pyrazolo[3,4-c]pyridine (CAS 1032943-41-1)
- Peptide 431 (CAS CATO-CPTD788431)
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