2-Chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline dioxalate CAS 1177360-19-8
| CAS No. | 1177360-19-8 |
| Molecular Formula | C12H14ClF3N2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-Chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline dioxalate (CAS 1177360-19-8), molecular formula C12H14ClF3N2C2H2O4 and molecular weight 368.74 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline dioxalate (C12H14ClF3N2C2H2O4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 368.74 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.
As a certified reference material (CRM), 2-Chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline dioxalate 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 | C12H14ClF3N2 2*C2H2O4 |
| Molecular Weight | 368.74 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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- (Leu31,Pro34)-Peptide YY (human) trifluoroacetate salt (CAS 179986-95-9)
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