3-(3-Iodophenyl)-3-oxopropanenitrile CAS 247206-80-0
| CAS No. | 247206-80-0 |
| Molecular Formula | C9H6INO |
| Molecular Weight | 271.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3-(3-Iodophenyl)-3-oxopropanenitrile (C9H6INO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 271.05 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
3-(3-Iodophenyl)-3-oxopropanenitrile (CAS 247206-80-0) is a high-purity analytical reference standard with the molecular formula C9H6INO and a molecular weight of 271.05 g/mol.
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.
As a certified reference material (CRM), 3-(3-Iodophenyl)-3-oxopropanenitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H6INO |
| Molecular Weight | 271.05 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
Related Iodophenyl Standards
- 5-(4-Iodophenyl)oxazole (CAS 1206169-98-3)
- 3-(2-Iodophenyl)-3-oxopropanenitrile (CAS 158387-19-0)
- 5-(4-Iodophenyl)isoxazole (CAS 160377-48-0)
- 3-(4-Iodophenyl)-3-oxopropanenitrile (CAS 206346-33-0)
- 1-(4-Iodophenyl)-1H-1,2,3-triazole (CAS 1101173-99-2)
- 4-(3-Iodophenyl)-4H-1,2,4-triazole (CAS 1706447-66-6)
- 1-(3-iodophenyl)-1H-1,2,3-triazole (CAS 1864014-68-5)
- 2-(4-Iodophenyl)-2-methylpropanenitrile (CAS 630383-84-5)
Recommended Standards
- 2-Iodoquinolin-8-ol (CAS 648897-12-5)
- 2-Iodoquinolin-4-ol (CAS 5652-12-0)
- 3-Iodoquinolin-2(1H)-one (CAS 335649-85-9)
- 2-Iodo-1H-indole-5-carbaldehyde (CAS 2127096-30-2)
- 4-Chloro-3-iodo-1H-pyrrolo[2,3-c]pyridine (CAS 2231673-23-5)
- 1-Methylcyclopentane-1,3-diol (CAS 223389-60-4)
- (2-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)quinolin-4-yl)methanol (CAS 1354706-34-5)
- 4-Methoxy-2,3-dihydrobenzofuran-6-carboxylic Acid (CAS 1785202-35-8)
- 3-(Hydroxymethyl)-5-methoxybenzoic acid (CAS 1352397-52-4)
- 5-{[1,1'-biphenyl]-4-carbonyl}-N-methyl-1,3-thiazol-2-amine (CAS 339022-07-0)
- Methyl 6-hydroxy-1,3-benzoxazole-7-carboxylate (CAS 155012-54-7)
- 2-Benzyl-[1,1'-biphenyl]-4-ol (CAS 85959-14-4)
- 4-Hydroxy-2-isopropoxybenzoic acid (CAS 1243287-38-8)
- Crustacean Cardioactive Peptide (CAS 107090-96-0)
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