1-[3-(Trifluoromethyl)pyridin-4-yl]-1,4-diazepane CAS 958694-16-1
| CAS No. | 958694-16-1 |
| Molecular Formula | C11H14F3N3 |
| Molecular Weight | 245.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-[3-(Trifluoromethyl)pyridin-4-yl]-1,4-diazepane (C11H14F3N3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
1-[3-(Trifluoromethyl)pyridin-4-yl]-1,4-diazepane (CAS 958694-16-1), molecular formula C11H14F3N3 and molecular weight 245.24 g/mol, is a CATO reference standard with documented purity and traceability.
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.
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 | C11H14F3N3 |
| Molecular Weight | 245.24 g/mol |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Trifluoromethyl Standards
- 1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-ol (CAS 1044769-56-3)
- 1-[4-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane (CAS 1048921-30-7)
- 4-(3-(Trifluoromethyl)phenyl)tetrahydro-2h-pyran-4-amine (CAS 1094283-09-6)
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Recommended Standards
- 1-[3-(Trifluoromethyl)-2-pyridinyl]-4-piperidinamine (CAS 821768-16-5)
- 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane (CAS 306934-70-3)
- 1,8-Diamino-3,6-dimethoxy-2,7-naphthyridine-4-carbonitrile (CAS 19858-61-8)
- 1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine (CAS 565453-20-5)
- 2-(4-Fluorophenyl)-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole (CAS 224033-54-9)
- 3-((1H-Pyrazol-1-yl)methyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CAS 1172079-91-2)
- 1-(Oxolan-2-ylmethyl)piperidin-4-amine (CAS 108282-26-4)
- (3-(Cyclopentyloxy)phenyl)methanamine hydrochloride (CAS 1235441-67-4)
- 3-Bromo-2-(diethoxymethyl)thiophene (CAS 34042-95-0)
- 2-Amino-N-(3,5-dimethylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 312506-96-0)
- Ethyl propiolate-<SUP>13</SUP>C<SUB>3</SUB> (CAS 1173019-08-3)
- (2-Ethoxy-4-methylphenyl)methanamine (CAS 1248476-95-0)
- tert-Butyl 7-(chlorosulfonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate (CAS 2378507-22-1)
- Allo-Thr5-Tirzepatide (CAS CATO-CPTD788934)
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