5-[(E)-[(3-Chlorophenyl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile CAS 946386-25-0
| CAS No. | 946386-25-0 |
| Molecular Formula | C19H11ClF3N5O |
| Molecular Weight | 417.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-[(E)-[(3-Chlorophenyl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 5-[(E)-[(3-Chlorophenyl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 946386-25-0), a certified reference material (molecular formula C19H11ClF3N5O, MW 417.77 g/mol) for analytical method development and quality control.
Structurally, 5-[(E)-[(3-Chlorophenyl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (C19H11ClF3N5O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 417.77 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
CATO manufactures 5-[(E)-[(3-Chlorophenyl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C19H11ClF3N5O |
| Molecular Weight | 417.77 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
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