N1-[3-[(2,3,3-trichloroacryloyl)amino]-5-(trifluoromethyl)phenyl]-2,3,3-trichloroacrylamide CAS 647825-63-6
| CAS No. | 647825-63-6 |
| Molecular Formula | C13H5Cl6F3N2O2 |
| Molecular Weight | 490.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N1-[3-[(2,3,3-trichloroacryloyl)amino]-5-(trifluoromethyl)phenyl]-2,3,3-trichloroacrylamide (CAS 647825-63-6), molecular formula C13H5Cl6F3N2O2 and molecular weight 490.90 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N1-[3-[(2,3,3-trichloroacryloyl)amino]-5-(trifluoromethyl)phenyl]-2,3,3-trichloroacrylamide (C13H5Cl6F3N2O2) 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 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 490.90 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C13H5Cl6F3N2O2 |
| Molecular Weight | 490.90 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related N Standards
- N'4-(2,3,3-trichloroacryloyl)-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide (CAS 648859-36-3)
- methyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 648859-28-3)
- ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 648409-97-6)
- 2,3,3-Trichloroacryloyl chloride (CAS 815-58-7)
Recommended Standards
- (3R,4R,5R)-3,4-bis((tert-butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)dihydrofuran-2(3H)-one (CAS 92512-25-9)
- 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-[5-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]propan-1-one (CAS 339099-64-8)
- 2-(3-Chlorophenyl)-4-(3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl)phthalazin-1(2H)-one (CAS 1207046-37-4)
- N-(4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}phenyl)-3-methoxybenzamide (CAS 478262-22-5)
- 2-(4-Fluorophenyl)-6,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CAS 1261118-41-5)
- 3-(4-(5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl)-2H-chromen-2-one (CAS 1209762-55-9)
- Methyl 5-Chloroindole-3-acetate (CAS 74339-45-0)
- Umeclidinium impurity 26 (CAS 1248400-28-3)
- Methyl 3-amino-5-bromo-6-(2-pyridinyl)thieno-[2,3-b]pyridine-2-carboxylate (CAS 1092352-72-1)
- (S)-Benzyl (1-(methylamino)-1-oxo-3-phenylpropan-2-yl)carbamate (CAS 15368-72-6)
- Tiotropium Impurity 41 (CAS CATO-C4X-176441)
- tert-Butyl 4-(5-iodopyridin-3-yl)piperidine-1-carboxylate (CAS 1523618-23-6)
- 3-(4-Chlorophenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-4-amine (CAS 573972-58-4)
- Tau Peptide (306-317) trifluoroacetate salt (CAS 1003007-59-7)
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