2-[1-(3,4-Dichlorobenzyl)-2-oxo-5-(thiomorpholinosulfonyl)indolin-3-ylidene]malononitrile CAS 1144853-65-5
| CAS No. | 1144853-65-5 |
| Molecular Formula | C22H16Cl2N4O3S2 |
| Molecular Weight | 519.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-[1-(3,4-Dichlorobenzyl)-2-oxo-5-(thiomorpholinosulfonyl)indolin-3-ylidene]malononitrile is closely related to a steroid 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.
2-[1-(3,4-Dichlorobenzyl)-2-oxo-5-(thiomorpholinosulfonyl)indolin-3-ylidene]malononitrile (CAS 1144853-65-5), molecular formula C22H16Cl2N4O3S2 and molecular weight 519.42 g/mol, is a CATO reference standard with documented purity and traceability.
2-[1-(3,4-Dichlorobenzyl)-2-oxo-5-(thiomorpholinosulfonyl)indolin-3-ylidene]malononitrile (C22H16Cl2N4O3S2) contains a steroid 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. 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 | C22H16Cl2N4O3S2 |
| Molecular Weight | 519.42 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Related Dichlorobenzyl Standards
- (E)-4-((3,4-dichlorobenzyl)oxy)-N'-(2-(4-methoxyphenoxy)benzylidene)benzohydrazide (CAS 320423-48-1)
- 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 444156-97-2)
- 3-(2,4-Dichlorobenzyl)-4-hydroxy-1-(2-methyl-2-((3-(trifluoromethyl)benzyl)thio)propyl)pyridin-2(1H)-one (CAS 672949-09-6)
- 2-((2,4-Dichlorobenzyl)thio)-3-((2,4,6-trichlorophenyl)diazenyl)-1H-indole (CAS 478042-16-9)
- 2-((3,4-Dichlorobenzyl)thio)-3-((2,4,6-trichlorophenyl)diazenyl)-1H-indole (CAS 478042-13-6)
- 3-(2,6-Dichlorobenzyl)-2-methyl-1-(2-methyl-2-((3-(trifluoromethyl)benzyl)thio)propyl)pyridin-4(1H)-one (CAS 341967-47-3)
- 3-((3,4-Dichlorobenzyl)oxy)-N-(4-(trifluoromethoxy)phenyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 338756-94-8)
- 1-(2,4-Dichlorobenzyl)-3-(5-((3,4-dichlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)pyridin-2(1H)-one (CAS 477853-21-7)
Recommended Standards
- Mometasone Furoate Impurity 11 (CAS CATO-C4X-170411)
- Ald-Ph-amido-PEG3-C2-Pfp ester (CAS 2101206-21-5)
- Methyl 2-(3,4-dichlorobenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 372970-66-6)
- Amiodarone Impurity 19 (CAS CATO-C4X-142519)
- (2-Cyclopropyl-5-(trifluoromethyl)pyridin-3-yl)boronic acid (CAS 2225176-76-9)
- 4-([1,1'-Biphenyl]-4-yl)-2,6-dichloropyrimidine (CAS 1385826-81-2)
- 1-(1-Bromopropan-2-yl)-2-ethoxybenzene (CAS 1496246-20-8)
- 2-(4-Chloro-3,5-dimethylphenyl)butan-2-ol (CAS 1379354-21-8)
- (2S)-4-Hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CAS 1367552-84-8)
- 2-(Piperidinomethyl)benzophenone (CAS 745718-74-5)
- 5-Methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole (CAS 192369-90-7)
- 3-Fluoro-5-methoxyaniline (CAS 2339-58-4)
- 2-(1-Methylcyclobutoxy)ethan-1-amine (CAS 1423117-07-0)
- Insulin Degludec Impurity 8 (CAS CATO-C4X-21578)
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