5-[(E)-[(4-Fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile CAS 1020252-41-8
| CAS No. | 1020252-41-8 |
| Molecular Formula | C19H11F4N5O |
| Molecular Weight | 401.32 g/mol |
| 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.
5-[(E)-[(4-Fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1020252-41-8) is a high-purity analytical reference standard with the molecular formula C19H11F4N5O and a molecular weight of 401.32 g/mol.
5-[(E)-[(4-Fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (C19H11F4N5O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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), 5-[(E)-[(4-Fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile 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 | C19H11F4N5O |
| Molecular Weight | 401.32 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.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Related E Standards
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- 1-(4-Fluorophenyl)-4-(1-nitronaphthalen-2-yl)-3-(trifluoromethyl)-1H-pyrazole (CAS 321998-71-4)
- N-((1-(4-Fluorophenyl)-1H-tetrazol-5-yl)methyl)-3-(trifluoromethyl)benzenesulfonamide (CAS 942000-37-5)
- Methyl 4-{4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl}-3-nitrobenzoate (CAS 341967-71-3)
- [{2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl}(4-methoxyphenyl)amino]acetic acid (CAS 1142205-38-6)
- Methyl 3-(2-(2-((4-fluorophenyl)sulfonyl)-1-methylhydrazinyl)acetamido)thiophene-2-carboxylate (CAS 861212-54-6)
- N-((1-(4-Fluorophenyl)-1H-tetrazol-5-yl)methyl)-3,3-diphenylpropanamide (CAS 897623-68-6)
- Ethyl 1-(7-(2-fluorophenyl)-4-hydroxythieno[3,2-d]pyrimidin-2-yl)piperidine-4-carboxylate (CAS 1243106-58-2)
Recommended Standards
- Tert-butyl3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate (CAS 2305070-08-8)
- Aflatoxin M1-oxime (AFM1-oxime) (CAS 127862-46-8)
- N-(4-methoxybenzyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine (CAS 477851-77-7)
- 2-(4-Bromobenzenesulfinyl)-1,1-diphenylethan-1-ol (CAS 251307-38-7)
- 1-(3-Butoxy-4-methylphenyl)ethanone (CAS 1443344-28-2)
- Ethyl 6-oxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (CAS 19658-64-1)
- 1-(3-Nitropyridin-2-yl)-1H-benzo[d]imidazole (CAS 675870-91-4)
- 3-(1-Acetyl-piperazin-2-yl)-benzamide (CAS 1316221-75-6)
- Baloxavir Impurity 50 (CAS 2136287-67-5)
- Tert-butyl 4-((2-nitrophenoxy)methyl)piperidine-1-carboxylate (CAS 614729-90-7)
- N-Benzyl-1h-benzo[d][1,2,3]triazole-1-carbothioamide (CAS 690634-11-8)
- 4-(Benzo[d][1,3]dioxol-5-yl)-3-(methylsulfonyl)-1H-pyrazole (CAS 1708199-30-7)
- 5-Amino-3-(trifluoromethyl)isoxazole-4-carboxylic acid (CAS 132066-38-7)
- Tirzepatide Impurity 50 (CAS CATO-C4X-324050)
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