5-[(E)-[(2-Chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile CAS 1159976-68-7
| CAS No. | 1159976-68-7 |
| Molecular Formula | C18H11ClFN5O |
| Molecular Weight | 367.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 367.76 g/mol gives 5-[(E)-[(2-Chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-[(E)-[(2-Chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1159976-68-7), molecular formula C18H11ClFN5O and molecular weight 367.76 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 5-[(E)-[(2-Chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 367.76 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 5-[(E)-[(2-Chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-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 | C18H11ClFN5O |
| Molecular Weight | 367.76 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related E Standards
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Recommended Standards
- 1-(4-Chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1048915-26-9)
- Dinitrato(1,10-phenanthroline)copper(II) (CAS 19319-88-1)
- 6-(4-chlorophenyl)-1-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1011397-66-2)
- n-(2-Chlorobenzyl)-2-(2-(trifluoromethyl)-1h-benzo[d]imidazol-1-yl)acetamide (CAS 478048-07-6)
- 1-(6-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-methylpyridin-3-yl)propan-1-one (CAS 1355217-54-7)
- 4-((2-Methylbenzyl)thio)-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrazine (CAS 1243085-30-4)
- Silicristin (CAS 33889-69-9)
- Boc-His(3-Bom)-OSu (CAS 129672-10-2)
- Sildenafil Impurity 294 (CAS 200575-17-3)
- Methyl 2-(2-bromo-6-fluorobenzofuran-3-yl)acetate (CAS 1420792-46-6)
- 6-Methoxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde (CAS 114561-35-2)
- 1-tert-Butyl 4-benzyl 6-(hydroxymethyl)-1,4-diazepane-1,4-dicarboxylate (CAS 1105187-33-4)
- 2-Amino-4-butylthiazole-5-carboxylic acid (CAS 1267862-65-6)
- Insulin Degludec Impurity 25 (CAS CATO-C4X-215725)
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