4,6-Dimethyl-2-((3-(trifluoromethyl)benzyl)oxy)nicotinonitrile CAS 866137-07-7
| CAS No. | 866137-07-7 |
| Molecular Formula | C16H13F3N2O |
| Molecular Weight | 306.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 306.28 g/mol gives 4,6-Dimethyl-2-((3-(trifluoromethyl)benzyl)oxy)nicotinonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4,6-Dimethyl-2-((3-(trifluoromethyl)benzyl)oxy)nicotinonitrile (CAS 866137-07-7), molecular formula C16H13F3N2O and molecular weight 306.28 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4,6-Dimethyl-2-((3-(trifluoromethyl)benzyl)oxy)nicotinonitrile (C16H13F3N2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 306.28 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 4,6-Dimethyl-2-((3-(trifluoromethyl)benzyl)oxy)nicotinonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H13F3N2O |
| Molecular Weight | 306.28 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Dimethyl Standards
- 4,6-Dimethyl-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carbonitrile (CAS 866131-83-1)
- 5,7-Dimethyl-6-(3-(trifluoromethyl)benzyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 439111-25-8)
- Benzyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate (CAS 596803-16-6)
- 2-(2,5-Dimethyl-benzenesulfonyloxy)-benzoic acid (CAS 722466-27-5)
- 3,4-Dimethyl-N-(3-nitrophenyl)benzene-1-sulfonamide (CAS 71796-09-3)
- N-(2,5-Dimethyl-4-nitrophenyl)benzenesulfonamide (CAS 88681-03-2)
- 3,5-Dimethyl-1-(tetrahydro-2H-pyran-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 2246602-45-7)
- Ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate (CAS 169120-62-1)
Recommended Standards
- 4-(4-Acetamido-1-methyl-1H-imidazole-2-carboxamido)-1-methyl-1H-imidazole-2-carboxylic acid (CAS 484017-92-7)
- 4-(4-(Trifluoromethyl)phenyl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one (CAS 2173253-15-9)
- 5-((4-(Trifluoromethyl)phenyl)thio)-1,2,3-thiadiazole-4-carboxylic acid (CAS 338982-07-3)
- 3-(4-Nitrophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine (CAS 501655-49-8)
- 2-(2-Chloropyridin-3-yl)-1-(4-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole (CAS 338411-56-6)
- 5,6,7,8-Tetrahydroquinolin-3-ol (CAS 655239-64-8)
- Tetraallylpyromellitate (CAS 13360-98-0)
- 5-(2-Methylthiazol-4-yl)pyrimidine-2,4(1H,3H)-dione (CAS 6329-32-4)
- Leuprorelin Impurity 19 (CAS 38482-70-1)
- 1-(4-Nitrophenyl)-2-((5-(o-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 332357-67-2)
- C711-NH2 (CAS 146408-34-6)
- 149457-83-0 Hypocrellin C (CAS 149457-83-0)
- 2,5-Dimethoxy-4-iodophenethylamine HCl (CAS 64584-32-3)
- Semaglutide Impurity 157 (x TFA Salt) (CAS CATO-C4X-2226157)
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