3-[3-(3,4-difluorophenyl)-4-formyl-1H-pyrazol-1-yl]propanenitrile CAS 956984-73-9
| CAS No. | 956984-73-9 |
| Molecular Formula | C13H9F2N3O |
| Molecular Weight | 261.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-[3-(3,4-difluorophenyl)-4-formyl-1H-pyrazol-1-yl]propanenitrile (CAS 956984-73-9) is a high-purity analytical reference standard with the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 3-[3-(3,4-difluorophenyl)-4-formyl-1H-pyrazol-1-yl]propanenitrile is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 261.23 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.
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 | C13H9F2N3O |
| Molecular Weight | 261.23 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 3-[(5-methyl-3-nitro-1h-pyrazol-1-yl)methyl]benzoic acid (CAS 491831-82-4)
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- 3-[(4-oxo-4h-chromen-2-yl)formamido]propanoic acid (CAS 67733-00-0)
- 4-((4,6-Dimethoxy-1,3,5-triazin-2-yl)oxy)benzaldehyde (CAS 42030-76-2)
- Fmoc-Trp(Boc)-Trp(Boc)-OH (CAS CATO-CPTD788558)
- (1S,3S)-3-methoxycyclohexane-1-carboxylic acid (CAS 2231666-50-3)
- 2-(Benzhydryloxy)-N-methylacetamide (CAS 118286-16-1)
- 1-(5-Ethoxyoxazol-2-yl)ethanol (CAS 284040-88-6)
- 2-Ethyl-3-methyl-1H-indole-7-carboxylic acid (CAS 876715-53-6)
- Benzo[H][1,6]naphthyridine-5-carbaldehyde (CAS 69164-27-8)
- 5-Bromo-6-methylpyridin-2-ol (CAS 54923-31-8)
- (E)-2-(4-Methoxybenzylidene)-5-oxopyrazolidin-2-ium-1-ide (CAS 1321111-57-2)
- Ethyl 4-chloro-2-methylbenzoate (CAS 15393-58-5)
- Semaglutide Impurity 162 (x TFA Salt) (CAS CATO-C4X-2226162)
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