N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide CAS 261966-45-4
| CAS No. | 261966-45-4 |
| Molecular Formula | C17H19ClF3N5O3S |
| Molecular Weight | 465.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 465.88 g/mol gives N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide (CAS 261966-45-4), molecular formula C17H19ClF3N5O3S and molecular weight 465.88 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide (C17H19ClF3N5O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 465.88 g/mol, it falls into the moderately-high-molecular-weight range. 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), N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide 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 | C17H19ClF3N5O3S |
| Molecular Weight | 465.88 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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- N'1-(2-chloroacetyl)-2-{5-[3,5-di(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}propanohydrazide (CAS 680214-90-8)
- 2-(1-(2-Chloroacetyl)-3-oxopiperazin-2-yl)-N-(4-phenoxyphenyl)acetamide (CAS 1306738-30-6)
- n'-(2-Chloroacetyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carbohydrazide (CAS 743444-32-8)
- methyl 3-[2-[(2-chloroacetyl)amino]-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate (CAS 648859-39-6)
- 2-(1-(2-Chloroacetyl)-3-oxopiperazin-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 1306738-22-6)
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Recommended Standards
- 3,6,8-Tribromo-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridine (CAS 61982-68-1)
- Methyl 3-(2-chlorophenyl)-5-(3-(ethoxycarbonyl)-1-(p-tolyl)-1H-pyrazol-4-yl)isoxazole-4-carboxylate (CAS 321571-26-0)
- 2-hexyldecyl (CAS 62314-50-5)
- Tadalafil Impurity 109 (CAS CATO-C4X-1087109)
- N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide (CAS 338403-34-2)
- Auristatin F (CAS 163768-50-1)
- (3R,4R)-tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate (CAS 1260612-08-5)
- 2-(Aminomethyl)benzo[d]oxazole-6-carbaldehyde (CAS 1806424-95-2)
- Ethyl 2-((4-bromophenyl)thio)-2-methylpropanoate (CAS 18527-15-6)
- 3-(4-Hydroxycyclohexyl)propanoic acid (CAS 500793-45-3)
- 5-(Imidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-3-amine (CAS 948883-30-5)
- 1-(Ethoxycarbonyl)cyclopropane-1-sulfinate (sodium) (CAS 2917638-95-8)
- Methyl 4-amino-1-(4-hydroxybutyl)-1h-pyrrole-2-carboxylate (CAS 1250166-05-2)
- Semaglutide impurity 47 (CAS CATO-C4X-222647)
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