4-({[(2-chlorophenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one CAS 338975-69-2
| CAS No. | 338975-69-2 |
| Molecular Formula | C12H9ClF3N3O |
| Molecular Weight | 303.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-({[(2-chlorophenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one.
4-({[(2-chlorophenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 338975-69-2) is a high-purity analytical reference standard with the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol.
Based on its molecular formula C12H9ClF3N3O, 4-({[(2-chlorophenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one 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 303.67 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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-({[(2-chlorophenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one 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 | C12H9ClF3N3O |
| Molecular Weight | 303.67 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related chlorophenyl Standards
- (4Z)-4-{[(4-chlorophenyl)amino]methylidene}-1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 320425-07-8)
- 1-(4-Chlorophenyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 98534-25-9)
- 4-({[(3-chlorophenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 338975-70-5)
- 4-({[(4-chlorophenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 338975-71-6)
- 6-(4-Chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole (CAS 153073-99-5)
- 4-(2-Chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-furo[3,4-b]pyridine-3-carboxylicacid (CAS 113994-39-1)
- N-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide (CAS 1170951-37-7)
- 1-[[5-(4-Chlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione (CAS 14663-26-4)
Recommended Standards
- 1-(1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-methyl-1H-imidazol-4-yl)ethan-1-one (CAS 250714-14-8)
- 4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5,6-dimethylpyridazin-3(2H)-one (CAS 672949-17-6)
- Ethyl 4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylate (CAS 31602-11-6)
- Norflurazon (CAS 27314-13-2)
- (E)-2-methoxy-5-(prop-1-en-1-yl)phenol (CAS 19784-98-6)
- 7-Amino-3,4-dihydroquinolin-2(1H)-one (CAS 22246-07-7)
- (2,4-Dimethylphenyl)iodo[tris(1,1-dimethylethyl)phosphine]palladium (CAS 668488-21-9)
- (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-ethynyltetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS 168105-32-6)
- Methyl 2-(3-(3-ethoxy-4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)acetate (CAS 1416340-95-8)
- 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(1r)-2-methoxy-1-methyl-ethoxy]-N-(5-methylpyrazin-2-yl)benzamide (CAS 919784-13-7)
- 3-(4-Chlorobutyl)-4-methylthiazol-2(3h)-one (CAS 1250185-05-7)
- Fexofenadine Impurity 19 (CAS CATO-C4X-179419)
- 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)ethan-1-amine 2,2,2-trifluoroacetate (CAS 1255717-05-5)
- D-Gln19-Tirzepatide (CAS CATO-CPTD788915)
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