(E)-2-(cyclohexylthio)-5-nitrobenzaldehyde O-(4-chlorobenzoyl) oxime CAS 331461-98-4
| CAS No. | 331461-98-4 |
| Molecular Formula | C20H19ClN2O4S |
| Molecular Weight | 418.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(E)-2-(cyclohexylthio)-5-nitrobenzaldehyde O-(4-chlorobenzoyl) oxime (CAS 331461-98-4) is a high-purity analytical reference standard with the molecular formula C20H19ClN2O4S and a molecular weight of 418.89 g/mol.
Structurally, (E)-2-(cyclohexylthio)-5-nitrobenzaldehyde O-(4-chlorobenzoyl) oxime (C20H19ClN2O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 418.89 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C20H19ClN2O4S |
| Molecular Weight | 418.89 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related E Standards
- 2-(Cyclohexylthio)-5-(1-tosylpyrrolidin-2-yl)pyridine (CAS 1352512-86-7)
- 2-(Cyclohexylthio)-5-nitrobenzyl 4-nitrobenzoate (CAS 331460-22-1)
- 1-(Cyclohexylthio)-5-(phenylthio)anthracene-9,10-dione (CAS 84674-82-8)
- 5-(2-(Cyclohexylthio)-5-nitrobenzylidene)-2-thioxothiazolidin-4-one (CAS 882073-18-9)
- 2-(2-(Cyclohexylthio)-5-nitrophenyl)-1,3-dithiolane (CAS 328263-20-3)
- 1-((4-(Cyclohexylthio)pyridin-3-yl)sulfonyl)piperazine (CAS 1352496-88-8)
- 2-(Cyclohexylthio)-3-(1-isobutylpyrrolidin-2-yl)pyridine (CAS 1352496-20-8)
- 2-(Cyclohexylthio)-N-(3,5-dichlorophenyl)acetamide (CAS 306730-39-2)
Recommended Standards
- N-(5-chloro-2-methoxyphenyl)-2-(3,5-diphenyl-1H-1,2,4-triazol-1-yl)acetamide (CAS 444152-89-0)
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- Ertugliflozin impurity 16 (CAS CATO-C4X-301116)
- 3-(4-((2-Chlorophenyl)sulfonyl)piperazin-1-yl)-6-(3-methyl-1H-pyrazol-1-yl)pyridazine (CAS 1013757-10-2)
- 2-(4-Nitrophenyl)cyclopentan-1-one (CAS 104869-89-8)
- Opicapone Impurity 1 (CAS 91591-66-1)
- 7-(Allyloxy)-2-nitrobenzofuran (CAS 56897-31-5)
- 3-(Diethylamino)benzenesulfonic acid (CAS 97-20-1)
- 3-(4-Nitrophenyl)piperidine (CAS 19733-55-2)
- 6-Chloro-7-(3-(chloromethyl)benzyl)-7H-purine (CAS 924904-12-1)
- 1-(Pyridin-4-yl)piperidine-2,4-dione (CAS 1936201-30-7)
- 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid (CAS 924843-71-0)
- 1-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}ethan-1-one (CAS 339016-56-7)
- Liraglutide Impurity 16 TFA Salt (CAS CATO-C4X-199216)
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