Methyl 4-(4-chlorophenyl)-5-fluoropyrimidine-2-carboxylate CAS 1364677-40-6
| CAS No. | 1364677-40-6 |
| Molecular Formula | C12H8ClFN2O2 |
| Molecular Weight | 266.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 266.66 g/mol gives Methyl 4-(4-chlorophenyl)-5-fluoropyrimidine-2-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 4-(4-chlorophenyl)-5-fluoropyrimidine-2-carboxylate (CAS 1364677-40-6) is a high-purity analytical reference standard with the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol.
Structurally, Methyl 4-(4-chlorophenyl)-5-fluoropyrimidine-2-carboxylate (C12H8ClFN2O2) 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 266.66 g/mol, it falls into the medium-molecular-weight range. 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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C12H8ClFN2O2 |
| Molecular Weight | 266.66 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, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- 4-Chlorophenyl 4-fluoropyridin-2-ylcarbamate (CAS 1993323-78-6)
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- 2-((2-Chlorophenyl)amino)-N-(2,2,2-trifluoroethyl)acetamide (CAS 1208674-60-5)
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Recommended Standards
- 2-((2-Nitropyridin-3-yl)oxy)ethane-1-sulfonyl chloride (CAS 1340273-53-1)
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- 9-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carbonyl chloride (CAS 1282519-09-8)
- (4-Chloro-2-sulfophenoxy)acetic acid (CAS 1189310-33-5)
- 1-Boc-4-(2-propynyl)piperazine (CAS 199538-99-3)
- (5,6-dichloro-1H-indol-2-yl)methanol (CAS 201929-83-1)
- 5-Bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid (CAS 1781869-85-9)
- Phenyl(3-(trifluoromethyl)phenyl)phosphine oxide (CAS 1643-92-1)
- tert-Butyl 3-hydrazinylpiperidine-1-carboxylate hydrochloride (CAS 2089310-49-4)
- Dimethylglyoxime (CAS 95-45-4)
- 1-cyclopentyl-3-nitro-1H-pyrazole-5-carboxylic acid (CAS 1006441-13-9)
- (R,R,R)-(+)-Tol-SKP (CAS 1429939-32-1)
- Ketorolac Impurity 23 (CAS 141054-42-4)
- Peptide WE-14 (CAS 115136-18-0)
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