3-[3-(3-chlorophenyl)-4-formyl-1h-pyrazol-1-yl]propanenitrile CAS 956438-87-2
| CAS No. | 956438-87-2 |
| Molecular Formula | C13H10ClN3O |
| Molecular Weight | 259.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-[3-(3-chlorophenyl)-4-formyl-1h-pyrazol-1-yl]propanenitrile.
3-[3-(3-chlorophenyl)-4-formyl-1h-pyrazol-1-yl]propanenitrile (CAS 956438-87-2), molecular formula C13H10ClN3O and molecular weight 259.69 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-[3-(3-chlorophenyl)-4-formyl-1h-pyrazol-1-yl]propanenitrile (C13H10ClN3O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C13H10ClN3O |
| Molecular Weight | 259.69 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 | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 3-(5-Chlorobenzo[d]oxazol-2-yl)-N-methylpyridin-2-amine (CAS 860609-37-6)
- 3-[3-(4-chlorophenyl)-4-formyl-1h-pyrazol-1-yl]propanenitrile (CAS 255710-84-0)
- 3-(5-Chloro-1-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one (CAS 400075-98-1)
- 4-((4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl)amino)butanoic acid (CAS 697230-48-1)
- Clonidine (CAS 4205-90-7)
- endo-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride (CAS 2208275-23-2)
- 4-Ethoxy-3,5-difluorophenylboronic acid (CAS 2096333-93-4)
- 4-(4-Fluoro-2-methylphenyl)-4-oxobutanoic acid (CAS 887694-34-0)
- 5-Amino-2-((furan-3-ylmethyl)amino)pyrimidin-4(1H)-one (CAS 77961-46-7)
- [1-(Pyrrolidin-1-ylmethyl)cyclopropyl]-amine dihydrochloride (CAS 1401426-09-2)
- 89282-64-4 2-Methoxybutan-1-amine DTXSID60589361 (CAS 89282-64-4)
- (3-Aminoazetidin-1-yl)(1H-pyrazol-4-yl)methanone (CAS 1339903-04-6)
- 2-Phenylindole-6-carboxylic acid methyl ester, 97% (CAS 774213-82-0)
- Peptide 74 (H-8545.0500) (CAS 132116-39-3)
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