N-(2-Bromo-4-fluorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide CAS 900019-61-6
| CAS No. | 900019-61-6 |
| Molecular Formula | C19H17BrF4N4O2S |
| Molecular Weight | 521.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(2-Bromo-4-fluorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies N-(2-Bromo-4-fluorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide (CAS 900019-61-6), a certified reference material (molecular formula C19H17BrF4N4O2S, MW 521.33 g/mol) for analytical method development and quality control.
Based on its molecular formula C19H17BrF4N4O2S, N-(2-Bromo-4-fluorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 521.33 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.
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 | C19H17BrF4N4O2S |
| Molecular Weight | 521.33 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related N Standards
- 4-Bromo-N-{[4-methyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzene-1-sulfonamide (CAS 338421-64-0)
- 8-Bromo-2-(4-(methylamino)piperidin-1-yl)-4-((4-phenoxyphenyl)amino)pyrido[4,3-d]pyrimidin-5(6H)-one (CAS 2173992-17-9)
- 6-Bromo-5,5-dimethyl-5,6-dihydrobenzo[c]acridine (CAS 6639-68-5)
- 2-Bromo-7-iodo-9,9'-spirobi[fluorene] (CAS 1429933-33-4)
- 7-Bromo-9,9,9',9'-tetraethyl-2,2'-bifluorene (CAS 862847-75-4)
- 4-Bromo-5-chloro-N-(2,4-dimethoxybenzyl)-2-fluoro-N-(thiazol-2-yl)benzenesulfonamide (CAS 2342604-44-6)
- 5-Bromo-1-(2,6-dichlorophenyl)-7-methoxy-3-(4-methoxybenzyl)-3,4-dihydroquinazolin-2(1H)-one (CAS 444663-78-9)
- 4-Bromo-N-((5-((3,4-dichlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzenesulfonamide (CAS 338421-62-8)
Recommended Standards
- N-cyclohexyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzamide (CAS 680213-82-5)
- 4-(Trifluoromethyl)-N2,N6-bis[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide (CAS 1092344-72-3)
- 2,6-Dichloro-N-(1-(3,4-dimethylphenyl)-3-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-5-yl)isonicotinamide (CAS 849066-57-5)
- 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-[(2Z)-2-{[(2-chloro-6-fluorophenyl)methoxy]imino}ethyl]-1,2-thiazole-4-carbonitrile (CAS 338413-09-5)
- N-Butyl-3-iodoaniline (CAS 647035-67-4)
- 2,4-Diamino-5-chloroquinazoline-6-carbonitrile (CAS 18917-75-4)
- 4-Methylpyridine-2,3-dicarboxylic acid (CAS 517-40-8)
- cis-3-(3,5-Dimethylbenzoyl)cyclohexane-1-carboxylic acid (CAS 735269-87-1)
- methyl 3-amino-2-(4-bromophenoxy)propanoate hydrochloride (CAS 1803604-50-3)
- (S)-1-(4-Fluoro-2-methylphenyl)ethanamine hydrochloride (CAS 2075820-33-4)
- (S)-4,4-Difluoro-2-methylpiperidine (CAS 2165831-10-5)
- Ethyl 2-(3-(methylthio)phenyl)-2-oxoacetate (CAS 1256479-24-9)
- 2-Butyl-6-methyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid (CAS 1480816-80-5)
- Semaglutide impurity 29 (CAS 110990-08-4)
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