N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS 680210-96-2
| CAS No. | 680210-96-2 |
| Molecular Formula | C12H6ClF4N3O |
| Molecular Weight | 319.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide is closely related to a nitrogen-containing heterocyclic scaffold, 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 N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide (CAS 680210-96-2), a certified reference material (molecular formula C12H6ClF4N3O, MW 319.64 g/mol) for analytical method development and quality control.
Structurally, N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide (C12H6ClF4N3O) 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 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 319.64 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.
As a certified reference material (CRM), N5-(4-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide 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 | C12H6ClF4N3O |
| Molecular Weight | 319.64 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related N Standards
- N5-(2-fluorophenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide (CAS 648859-61-4)
- 1-(4-(4-Fluorophenyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-2-amine (CAS 941868-15-1)
- 3-[(3-fluorophenyl)methyl]-1-[(4-methylbenzene)sulfonyl]azetidine (CAS 1356678-71-1)
- 3-[(2-fluorophenyl)methyl]-1-[(4-methylbenzene)sulfonyl]azetidine (CAS 1356739-43-9)
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- 4-((4-Fluorophenyl)thio)-N-(4-methoxyphenyl)butanamide (CAS 941925-12-8)
- 4-(4-Fluorophenyl)-5-((pyrimidin-2-ylthio)methyl)-4h-1,2,4-triazole-3-thiol (CAS 887205-28-9)
- (1-(4-Fluorophenyl)cyclopropyl)(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone (CAS 1351613-07-4)
Recommended Standards
- 1-Chloro-4,8-dihydroxy-5-nitroanthracene-9,10-dione (CAS 61944-32-9)
- 1-(1-(Thiophen-2-yl)ethylidene)-2-(2,4,6-trichlorophenyl)hydrazine (CAS 194923-67-6)
- 2,4,6-Tris(2-chloro-2-propyl)-1,3,5-trioxane (CAS 7471-98-9)
- 3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-(3-methylphenyl)acrylamide (CAS 154563-44-7)
- tert-Butyl (2-(2-bromoacetamido)ethyl)carbamate (CAS 99616-36-1)
- 5-Bromo-4-[2-(dimethylamino)ethenyl]-2-methoxy-3-nitropyridine (CAS 917918-81-1)
- 3-Benzoyl-4-hydroxy-6-methyl-2H-pyran-2-one (CAS 17965-42-3)
- 7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazine-4-thiol (CAS 1105192-03-7)
- Mono[2-(perfluorodecyl)ethyl] Sulfate Potassium Salt (CAS 1262446-14-9)
- 3H-imidazo[4,5-c]pyridine-7-carbonitrile (CAS 1234616-79-5)
- 3-Iodo-4-nitro-6-isopropyl (1H)indazole (CAS 1000340-91-9)
- 2-((4-Allyl-5-phenyl-4h-1,2,4-triazol-3-yl)thio)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide (CAS 1009229-80-4)
- 2-(5-Methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine (CAS 61012-32-6)
- Acetyl tetrapeptide-3 (CAS 827306-88-7)
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