6-Chloro-5-(difluoromethyl)-4-(hydroxymethyl)nicotinonitrile CAS 1804666-23-6
| CAS No. | 1804666-23-6 |
| Molecular Formula | C8H5ClF2N2O |
| Molecular Weight | 218.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C8H5ClF2N2O, 6-Chloro-5-(difluoromethyl)-4-(hydroxymethyl)nicotinonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 218.59 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.
6-Chloro-5-(difluoromethyl)-4-(hydroxymethyl)nicotinonitrile (CAS 1804666-23-6), molecular formula C8H5ClF2N2O and molecular weight 218.59 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C8H5ClF2N2O |
| Molecular Weight | 218.59 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
- Methyl 2-((5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)oxy)acetate (CAS 1346697-65-1)
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Recommended Standards
- 2-(Chloromethyl)-4-cyano-3-(difluoromethyl)-5-hydroxypyridine (CAS 1804495-16-6)
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- 2-(2-Chloro-5-(difluoromethyl)-4-hydroxypyridin-3-yl)acetonitrile (CAS 1804670-67-4)
- 2-(2-Chloro-5-(difluoromethyl)-6-hydroxypyridin-3-yl)acetonitrile (CAS 1804670-76-5)
- 1-(1-Isopentyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-3-(thiophen-2-yl)urea (CAS 1171925-70-4)
- 3,5-Dichloro-4,6-Difluoro-2-Pyridinamine (CAS 105745-88-8)
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- Methyl 2-(4-oxo-4,10-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-2-yl)acetate (CAS 879616-49-6)
- 3-Ethyl-7-(hydroxymethyl)quinoxalin-2(1H)-one (CAS 2589532-22-7)
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- Methyl-(5-methyl-imidazo[1,2-a]pyridin-2-ylmethyl)amine dihydrochloride (CAS 1187931-77-6)
- 2,6-Dichloro-3-(methylsulfonyl)pyridine (CAS 1820647-64-0)
- 3-bromo-5-nitro-2H-pyrazolo[3,4-b]pyridine (CAS 1186608-83-2)
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