2-((3-Nitrobenzyl)thio)-3-((2,4,6-trichlorophenyl)diazenyl)-1H-indole CAS 478042-23-8
| CAS No. | 478042-23-8 |
| Molecular Formula | C21H13Cl3N4O2S |
| Molecular Weight | 491.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 2-((3-Nitrobenzyl)thio)-3-((2,4,6-trichlorophenyl)diazenyl)-1H-indole (CAS 478042-23-8), a certified reference material (molecular formula C21H13Cl3N4O2S, MW 491.78 g/mol) for analytical method development and quality control.
Based on its molecular formula C21H13Cl3N4O2S, 2-((3-Nitrobenzyl)thio)-3-((2,4,6-trichlorophenyl)diazenyl)-1H-indole contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 491.78 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C21H13Cl3N4O2S |
| Molecular Weight | 491.78 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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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- 4-Nitrobenzyl 2,3,4,6-Tetra-O-acetyl-1-thio-β-D-galactopryranoside (CAS 35785-42-3)
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Recommended Standards
- Copper, (4-bromo-3-hydroxy-2-naphthoato)(5-fluoro-8-quinolinolato)- (CAS 15695-16-6)
- n-{3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl}-3-chloropropanamide (CAS 749902-97-4)
- 2,6-Dichloro-N-(4-chloro-3-(2-(dimethylamino)ethoxy)phenyl)-4-(trifluoromethyl)benzenesulfonamide (CAS 345892-71-9)
- 6-Fluoro-8-(2,2,3,3,10,10,11,11-octamethyl-4,9-dioxa-3,10-disiladodecan-6-yl)isoquinoline-5-carbaldehyde (CAS 2842055-03-0)
- Tirofiban-d9 Hydrochloride (CAS 1331911-68-2)
- 1-(2-Fluoroethyl)-1H-pyrazole-5-carbonitrile (CAS 1429418-00-7)
- 1-Acetyl-3-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CAS 5236-78-2)
- 6-(Azepan-2-yl)quinoline (CAS 904816-03-1)
- 5-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1073338-95-0)
- 2-((2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile (CAS 625377-15-3)
- 4-Amino-3-iodo-5-methoxybenzoic acid (CAS 1260785-20-3)
- Methyl 2-amino-2-(3,4,5-trifluorophenyl)acetate (CAS 1341970-16-8)
- Clarity (CAS 104040-79-1)
- Semaglutide Impurity 167 (CAS CATO-C4X-2226167)
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