Ethyl 5-cyano-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate CAS 98476-14-3
| CAS No. | 98476-14-3 |
| Molecular Formula | C13H10FN3O2 |
| Molecular Weight | 259.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 5-cyano-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS 98476-14-3) is a high-purity analytical reference standard with the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol.
Structurally, Ethyl 5-cyano-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate (C13H10FN3O2) 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 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 259.24 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C13H10FN3O2 |
| Molecular Weight | 259.24 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Ethyl Standards
- Ethyl 4-cyano-1-(4-fluorophenyl)-1H-pyrazole-5-carboxylate (CAS 318497-87-9)
- Ethyl 5-cyano-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS 98476-22-3)
- 2-(2-Cyano-3-(difluoromethoxy)-5-mercaptophenyl)acetic acid (CAS 1805631-48-4)
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- 2-(2-Cyano-3-(difluoromethoxy)-4-mercaptophenyl)acetic acid (CAS 1805659-45-3)
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- 4-Cyano-2-difluoromethoxy-3-mercaptophenylacetic acid (CAS 1807182-80-4)
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Recommended Standards
- 5-(Oxetan-3-ylsulfonyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS 2138268-46-7)
- Methyl 2-(2-Nitrophenylsulfonyl)acetate (CAS 27489-28-7)
- 5-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CAS 2007915-48-0)
- Methyl 4-(methylsulfonyl)-3-nitrobenzoate (CAS 51919-73-4)
- 5-Methoxy-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid (CAS 1261889-23-9)
- 3-Acetamido-5-iodobenzenesulfonyl chloride (CAS 1393569-04-4)
- (2E)-1-(4-Benzylpiperazin-1-yl)-3-(6-bromo-2H-1,3-benzodioxol-5-yl)prop-2-en-1-one (CAS 478078-28-3)
- 4-Amino-2-sulfotoluene (CAS 118-88-7)
- 1-(2,5-Dimethoxyphenyl)-2-(3-methoxyphenyl)ethanone (CAS 1097016-89-1)
- (3-((Diethylamino)methyl)phenyl)methanol (CAS 91271-56-6)
- Ethyl 4-Phenylbutyrate (CAS 10031-93-3)
- DBeQ (CAS 177355-84-9)
- [(E)-(1-phenylethylidene)amino]thiourea (CAS 2302-93-4)
- Semaglutide impurity 37 (CAS CATO-C4X-222637)
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