2-(4-(Difluoromethyl)-3-methoxy-5-nitropyridin-2-yl)acetonitrile CAS 1805068-41-0
| CAS No. | 1805068-41-0 |
| Molecular Formula | C9H7F2N3O3 |
| Molecular Weight | 243.17 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.
2-(4-(Difluoromethyl)-3-methoxy-5-nitropyridin-2-yl)acetonitrile (CAS 1805068-41-0), molecular formula C9H7F2N3O3 and molecular weight 243.17 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H7F2N3O3, 2-(4-(Difluoromethyl)-3-methoxy-5-nitropyridin-2-yl)acetonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 243.17 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C9H7F2N3O3 |
| Molecular Weight | 243.17 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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 |
| 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 |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Difluoromethyl Standards
- 2-(4-(Difluoromethyl)-6-methoxy-5-nitropyridin-2-yl)acetonitrile (CAS 1804870-92-5)
- 2-(Difluoromethyl)-5-methoxy-3-nitropyridine-4-acetonitrile (CAS 1805068-31-8)
- 2-(Difluoromethyl)-3-methoxy-5-nitropyridine-6-acetonitrile (CAS 1805553-38-1)
- 2-(Difluoromethyl)-5-methoxy-4-nitropyridine-3-acetonitrile (CAS 1805553-56-3)
- 2-(4-(Difluoromethyl)-2-methoxy-5-nitropyridin-3-yl)acetonitrile (CAS 1805554-30-6)
- 2-(2-(Difluoromethyl)-6-methoxy-5-nitropyridin-3-yl)acetonitrile (CAS 1805606-23-8)
- 2-(Difluoromethyl)-3-methoxy-5-nitropyridine-4-acetonitrile (CAS 1806035-01-7)
- 2-(Difluoromethyl)-3-methoxy-4-nitropyridine-5-acetonitrile (CAS 1806960-20-2)
Recommended Standards
- Dimethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate (CAS 159427-78-8)
- ((6-Methoxy-5-nitropyrimidin-4-yl)oxy)methyl acetate (CAS 136718-69-9)
- 1-Chloro-4-(chloro(cyclohexyl)methyl)benzene (CAS 100614-59-3)
- (2-bromobenzyl)ethyldimethylaminium (2-bromophenyl)methyl-ethyl-dimethylazanium (o-Bromobenzyl)ethyldimethylammonium p-toluenesulfonate 2-bromo-N-ethyl-N,N-dimethylbenzenemethanaminium 59-41-6 Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1) Bretylium Bretylium tolsylate Bretylium tosylate(USAN) Bretylum D02YYF N-(2-bromobenzyl)-N,N-dimethylethanaminium N-ethyl-N,N-dimethyl-2-bromobenzenemethanaminium (CAS 59-41-6)
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- 5,5-Dimethoxy-1,2,3,4-tetrachlorocyclopentadiene (CAS 2207-27-4)
- N'-(3-bromo-5-methylbenzylidene)-4-methylbenzenesulfonohydrazide (CAS 2432855-03-1)
- 4-(3-(Hydroxymethyl)phenyl)nicotinic acid (CAS 1261943-95-6)
- N1-(quinolin-2-yl)ethane-1,2-diamine hydrochloride (CAS 858027-08-4)
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- 2,3-dimethylimidazol-3-ium-1-sulfonyl fluoride (CAS 2179072-32-1)
- (R)-1-(4-Bromophenyl)-2,2,2-trifluoroethanamine Hydrochloride (CAS 842169-83-9)
- D-[Ser]8-Semaglutide (CAS CATO-C4X-2226207)
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