3-(4-(5-Fluoropyrimidin-2-yl)phenyl)propiolaldehyde CAS 545425-80-7
| CAS No. | 545425-80-7 |
| Molecular Formula | C13H7FN2O |
| Molecular Weight | 226.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3-(4-(5-Fluoropyrimidin-2-yl)phenyl)propiolaldehyde (CAS 545425-80-7), a certified reference material (molecular formula C13H7FN2O, MW 226.21 g/mol) for analytical method development and quality control.
Structurally, 3-(4-(5-Fluoropyrimidin-2-yl)phenyl)propiolaldehyde (C13H7FN2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 226.21 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C13H7FN2O |
| Molecular Weight | 226.21 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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 |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Fluoropyrimidin Standards
- 1-(5-Fluoropyrimidin-2-yl)piperidine-2-carboxylic acid (CAS 1261229-81-5)
- 1-(5-Fluoropyrimidin-2-yl)piperidine-3-carboxylic acid (CAS 1261231-03-1)
- (S)-3-(2-FLUOROPYRIMIDIN-4-YL)-4-ISOPROPYLOXAZOLIDIN-2-ONE (CAS 1429181-06-5)
- (1-(6-Fluoropyrimidin-4-yl)-4-methoxypyrrolidin-2-yl)methanol (CAS 1869644-40-5)
- (S)-1-(5-Fluoropyrimidin-2-yl)-6-methyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine (CAS 1627997-65-2)
- (S)-1-(5-Fluoropyrimidin-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine (CAS 2166558-55-8)
- 1-(5-Fluoropyrimidin-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine (CAS 2097603-71-7)
- (1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl)methanol (CAS 1032825-49-2)
Recommended Standards
- 2-Oxo-5-(2-thienyl)-1,3,4-oxadiazole-3(2H)-acetic acid (CAS 869464-87-9)
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- 2-Methyl-5-(5-nitrofuran-2-yl)-1H-1,2,4-triazole-3(2H)-thione (CAS 61323-57-7)
- 4-(Diethylphosphinyl)benzoic acid (CAS 7078-92-4)
- 3-Oxo-2,3-dihydro-[1,2,4]triazolo-[4,3-a]pyridine-8-carbonitrile (CAS 1020039-16-0)
- ethyl 1-methyl-3-oxocyclobutane-1-carboxylate (CAS 227607-44-5)
- 3a-(Difluoromethyl)-3,3a-dihydrobenzo[d]pyrrolo[2,1-b]thiazol-1(2H)-one (CAS 1191927-89-5)
- 5-(2-Methylbut-3-yn-2-yl)-1,3,4-thiadiazol-2-amine (CAS 97987-64-9)
- (S)-3-amino-4-(2-bromophenyl)butanoic acid (CAS 769112-34-7)
- Leucogen (CAS 1950-36-3)
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- 5-Chloro-2-(methylthio)-4-(trifluoromethyl)pyrimidine (CAS 2089334-51-8)
- Ixazomib Impurity 59 (CAS CATO-C4X-126759)
- Tau Peptide (74-102) (Exon 3/Insert 2 Domain) trifluoroacetate salt (CAS 1322695-34-0)
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