1-(3,5-Diiodo-4-methoxyphenyl)ethanone CAS 31827-84-6
| CAS No. | 31827-84-6 |
| Molecular Formula | C9H8I2O2 |
| Molecular Weight | 401.97 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(3,5-Diiodo-4-methoxyphenyl)ethanone (CAS 31827-84-6), molecular formula C9H8I2O2 and molecular weight 401.97 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H8I2O2, 1-(3,5-Diiodo-4-methoxyphenyl)ethanone contains a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 401.97 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C9H8I2O2 |
| Molecular Weight | 401.97 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1966 |
| Halogen Content | I-containing |
Related Diiodo Standards
- 2-(3,5-Diiodo-4-methoxyphenyl)ethanamine (CAS 89631-86-7)
- (3,5-Diiodo-2-methoxyphenyl)boronic acid (CAS 1072951-59-7)
- 3,5-Diiodo-2-methoxybenzoic acid (CAS 19094-55-4)
- 3,5-Diiodo-4-hydroxyphenylacetic Acid (CAS 1948-39-6)
- 4,5-Diiodo-1-(oxan-2-yl)pyrazole (CAS 1403483-65-7)
- 4,5-Diiodo-2-isobutylpyridazin-3(2H)-one (CAS 1706458-39-0)
- 3,7-Diiodo-6-methoxy-1H-indazole (CAS 1190321-03-9)
- 3,4-Diiodo-6-methoxy-1H-indazole (CAS 887570-08-3)
Recommended Standards
- 1,3-Dibromo-5-difluoromethoxy-2-(trifluoromethylthio)benzene (CAS 1806349-78-9)
- 2-Ethoxy-3,5-diiodobenzaldehyde (CAS 708272-98-4)
- 1,5-Dibromo-2-difluoromethoxy-3-(trifluoromethylthio)benzene (CAS 1806349-22-3)
- 4-Ethoxy-3,5-diiodobenzaldehyde (CAS 632299-37-7)
- Tert-butyl 1-oxa-6-azaspiro[2.6]Nonane-6-carboxylate (CAS 790705-15-6)
- (3-aminopropyl)(3-phenylpropyl)amine (CAS 67884-81-5)
- 1-(4-Chlorophenyl)-3-(4-phenoxyphenyl)urea (CAS 167634-42-6)
- 4-[methyl(phenyl)amino]benzene-1-carboximidamide hydrochloride (CAS 1221725-78-5)
- Tedizolid Impurity 84 (CAS CATO-C4X-105484)
- Thiamine EP Impurity G (CAS 3419-28-1)
- 5-Chloro-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-amine (CAS 350500-99-1)
- N1-(2-(Dimethylamino)ethyl)-N2-(2-((2-(dimethylamino)ethyl)(methyl)amino)ethyl)-N1,N2-dimethylethane-1,2-diamine (CAS 3083-11-2)
- Methyl 2-(5-bromothiophen-2-yl)acetate (CAS 67137-56-8)
- Liraglutide (14-31)TFA Salt (CAS CATO-C4X-19927)
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