(4-Chlorobenzoylamino)malonic Acid-d4 Diethyl Ester CAS 1216553-23-9
| CAS No. | 1216553-23-9 |
| Molecular Formula | C14H16ClNO5 |
| Molecular Weight | 313.73 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (4-Chlorobenzoylamino)malonic Acid-d4 Diethyl Ester.
(4-Chlorobenzoylamino)malonic Acid-d4 Diethyl Ester (CAS 1216553-23-9) is a high-purity analytical reference standard with the molecular formula C14H16ClNO5 and a molecular weight of 313.73 g/mol.
Structurally, (4-Chlorobenzoylamino)malonic Acid-d4 Diethyl Ester (C14H16ClNO5) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 313.73 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C14H16ClNO5 |
| Molecular Weight | 313.73 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 4-[(4-fluorobenzene)amido]benzene-1-sulfonyl chloride (CAS 1016713-31-7)
- 1,3-Diethyl 5-(2-chloroacetamido)benzene-1,3-dicarboxylate (CAS 610261-06-8)
- Phenyl (6-chloropyridazin-3-yl)sulfonylcarbamate (CAS 89391-74-2)
- 1-{4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-3-(2,2-difluoroethyl)-3-methylazetidine (CAS 2809808-30-6)
- 4-(Benzyloxy)-3-chlorobenzoic acid (CAS 106931-79-7)
- 1-Oxa-8-thiaspiro[4.5]decan-4-one 8,8-dioxide (CAS 2137630-48-7)
- 1-Ethyl-1H-tetrazol-5-amine (CAS 65258-53-9)
- 2-(4-Fluorophenyl)-5-(trifluoromethyl)-2H-1,2,3-triazole-4-carboxylic acid (CAS 1779120-15-8)
- Mirodenafil (CAS 862189-95-5)
- Epalrestat Impurity 5 (CAS CATO-C4X-22365)
- 3-(Trifluoromethoxy)azetidine (CAS 1422766-39-9)
- Tert-butyl 1-(aminomethyl)-5-azaspiro[2.5]Octane-5-carboxylate (CAS 1782580-90-8)
- (S)-2-(3-(Benzyl(isopropyl)amino)pyrrolidin-1-yl)ethanol (CAS 1354016-62-8)
- Semaglutide impurity 77 (CAS CATO-C4X-222677)
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