(4E)-4-[2-(4-Chlorophenyl)hydrazin-1-ylidene]-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione CAS 97458-94-1
| CAS No. | 97458-94-1 |
| Molecular Formula | C16H12ClN3O2 |
| Molecular Weight | 313.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (4E)-4-[2-(4-Chlorophenyl)hydrazin-1-ylidene]-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione 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.
(4E)-4-[2-(4-Chlorophenyl)hydrazin-1-ylidene]-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione (CAS 97458-94-1), molecular formula C16H12ClN3O2 and molecular weight 313.74 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, (4E)-4-[2-(4-Chlorophenyl)hydrazin-1-ylidene]-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 313.74 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C16H12ClN3O2 |
| Molecular Weight | 313.74 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 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- (4E)-4-[(3-Chloro-4-methoxyphenyl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one (CAS 861207-97-8)
- (5-Chloro-2-(3-(hydroxymethyl)-4H-1,2,4-triazol-4-yl)phenyl)(phenyl)methanone (CAS 54041-98-4)
- (2S,3S,4R,5R)-2-(Chloromethyl)-5-(6-(dimethylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol (CAS 59987-43-8)
- (5-Phenyl-1,2-oxazol-3-yl)methyl 3-chlorobenzoate (CAS 343374-53-8)
- 2-(Bromomethyl)benzo[d]oxazole-4-acetonitrile (CAS 1803802-92-7)
- (2-Hydroxy-5-isopropylphenyl)(1H-pyrazol-4-yl)methanone (CAS 288844-41-7)
- (4E)-4-[4-(Benzyloxy)benzylidene]-3-(chloromethyl)isoxazol-5(4H)-one (CAS 1142199-48-1)
- Methyl (2R)-4,4-difluoropyrrolidine-2-carboxylate (CAS 1400688-76-7)
- 4-(3,5-Dichlorophenoxy)butanenitrile (CAS 1156720-17-0)
- (1R)-1-(4-piperidyl)ethanol;hydrochloride (CAS 1567666-81-2)
- 3-Chloro-1-methyl-1H-indazole-4-carbonitrile (CAS 256228-71-4)
- 2-tert-Butyl-3,4-dihydropyrimidin-4-one (CAS 42351-88-2)
- Acetylcysteine Impurity 34 (CAS 2381-08-0)
- Neuropeptide Y, human (CAS 98264-90-5)
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