N-Nitroso-8-chlorotheophylline CAS CATO-C4X-25872
| CAS No. | CATO-C4X-25872 |
| Molecular Formula | C7H6ClN5O3 |
| Molecular Weight | 243.61 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
N-Nitroso-8-chlorotheophylline (CAS CATO-C4X-25872) is a high-purity analytical reference standard with the molecular formula C7H6ClN5O3 and a molecular weight of 243.61 g/mol.
Owing to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, N-Nitroso-8-chlorotheophylline is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 243.61 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C7H6ClN5O3 |
| Molecular Weight | 243.61 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
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Recommended Standards
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- Azilsartan Impurity 90 (CAS 73833-13-3)
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- Bosentan HCl (CAS 1196074-08-4)
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- tert-Butyl 2-allylhydrazinecarboxylate (CAS 192725-90-9)
- (2S,6S)-4-benzyl-2-(chloromethyl)-6-methylmorpholine (CAS 150339-20-1)
- tert-Butyl (4-bromo-5-methylisoxazol-3-yl)(tert-butoxycarbonyl)carbamate (CAS 1040276-58-1)
- Methyl 3-(naphthalen-2-yl)prop-2-ynoate (CAS 887572-51-2)
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