4-((2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid CAS 314291-34-4
| CAS No. | 314291-34-4 |
| Molecular Formula | C17H12N6O5S |
| Molecular Weight | 412.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-((2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid.
4-((2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid (CAS 314291-34-4), molecular formula C17H12N6O5S and molecular weight 412.38 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H12N6O5S, 4-((2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 412.38 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
As a certified reference material (CRM), 4-((2-Carbamothioyl-5-(4-nitrophenyl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid 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 | C17H12N6O5S |
| Molecular Weight | 412.38 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 |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
Related Carbamothioyl Standards
- 2-(2-(1-Carbamothioyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)benzoic acid (CAS 188831-45-0)
- 2-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CAS 1038973-12-4)
- 4-Carbamothioyl-N-((tetrahydrofuran-2-yl)methyl)benzamide (CAS 1017043-44-5)
- 8-Carbamothioyl-3-methyl-5,6,7,8-tetrahydroquinolin-8-yl acetate (CAS 62257-59-4)
- 4-Carbamothioyl-N-(cyclopentylmethyl)benzamide (CAS 1096314-55-4)
- N-(2-carbamothioyl-2-methylethyl)-N-methylbenzamide (CAS 1247440-04-5)
- N-(1-carbamothioyl-1-methylpropyl)benzamide (CAS 1292939-21-9)
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Recommended Standards
- Pantoprazole impurity 62 (CAS CATO-C4X-139962)
- 4-(Furan-2-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 371117-78-1)
- N-(5-((4-Bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (CAS 392302-74-8)
- 5-Methyl-4-((phenylsulfonyl)methyl)-1-(4-(trifluoromethoxy)phenyl)-1,3-dihydro-2H-imidazol-2-one (CAS 439095-99-5)
- Ethyl 5-amino-1-(2,4-difluorophenyl)-1H-pyrazole-3-carboxylate (CAS 1264039-33-9)
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