4-((2-Chloro-5-nitrobenzylidene)amino)-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione CAS 613249-38-0
| CAS No. | 613249-38-0 |
| Molecular Formula | C16H12ClN5O3S |
| Molecular Weight | 389.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 4-((2-Chloro-5-nitrobenzylidene)amino)-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione 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.
4-((2-Chloro-5-nitrobenzylidene)amino)-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 613249-38-0), molecular formula C16H12ClN5O3S and molecular weight 389.82 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-((2-Chloro-5-nitrobenzylidene)amino)-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (C16H12ClN5O3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
Physical & Chemical Properties
| Molecular Formula | C16H12ClN5O3S |
| Molecular Weight | 389.82 g/mol |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- (4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)(3-methylthiophen-2-yl)methanone (CAS 1024338-68-8)
- 4-((2-Chloro-5-nitrobenzylidene)amino)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478257-54-4)
- 4-((4-Chloro-3-nitrobenzylidene)amino)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478257-26-0)
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- 2-(6-(4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole (CAS 944808-88-2)
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Recommended Standards
- 1-(2-(2,2-Dimethyl(3-oxaindan-4-yloxy))acetyl)-4-(4-chlorophenyl)semicarbazide (CAS 1024240-47-8)
- 2-((1-(4-Chlorophenyl)-3-(methoxycarbonyl)-6-oxo-1,6-dihydropyridazin-4-yl)thio)pyridine 1-oxide (CAS 338756-25-5)
- 2-Amino-5-(3-chlorophenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazol-4-one (CAS 1354925-02-2)
- 4-[(5-{[(4-Chlorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)methoxy]benzoic acid (CAS 1142210-59-0)
- 5-Fluoro-4-methyl-1h-indole-2-carboxylic acid (CAS 50536-62-4)
- Aristololactam BII (CAS 53948-09-7)
- 1-(Dimethylamino)cyclopentane-1-carboxylic acid (CAS 933690-12-1)
- 2-Chloro-2-fluoroethanol (CAS 13891-54-8)
- 6,7-Dimethoxy-4-methylphthalazin-1(2H)-one (CAS 10001-36-2)
- n-((4-Bromothiophen-2-yl)methyl)-3-methylbutan-1-amine (CAS 1007579-07-8)
- 2,5-Dioxa-8-azaspiro[3.5]nonan-7-one (CAS 1972659-52-1)
- 4-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1,3-thiazol-2-amine (CAS 379240-65-0)
- 2-(Thiophen-2-ylthio)-N-(4h-1,2,4-triazol-3-yl)acetamide (CAS 1211645-87-2)
- Des-[Ser]8-Liraglutide (CAS CATO-C4X-199233)
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