Methyl 1-[(3,4-dichlorophenyl)methyl]-3,5-diiodo-1H-indole-2-carboxylate CAS 866149-87-3
| CAS No. | 866149-87-3 |
| Molecular Formula | C17H11Cl2I2NO2 |
| Molecular Weight | 585.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 585.99 g/mol gives Methyl 1-[(3,4-dichlorophenyl)methyl]-3,5-diiodo-1H-indole-2-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 1-[(3,4-dichlorophenyl)methyl]-3,5-diiodo-1H-indole-2-carboxylate (CAS 866149-87-3), molecular formula C17H11Cl2I2NO2 and molecular weight 585.99 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 1-[(3,4-dichlorophenyl)methyl]-3,5-diiodo-1H-indole-2-carboxylate (C17H11Cl2I2NO2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine/iodine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C17H11Cl2I2NO2 |
| Molecular Weight | 585.99 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl/I-containing |
| Nitrogen Atoms | 1 |
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- 81988-89-8 UH11FDQ454 Ramoplanin A(sub 3) Ramoplanin A3 (S)-2-(3-Chloro-4-hydroxyphenyl)-N-(N(sup 2)-((2Z,4Z)-8-methyl-2,4-nonadienoyl)-(S)-asparaginyl-(2S,3S)-3-hydroxyasparaginyl-(R)-2-(p-hydroxyphenyl)glycyl-(R)-ornithyl-(2R,3R)-allothreonyl-2-(p-hydroxyphenyl)glycyl-2-(p-hydroxyphenyl)glycyl-(2S,3S)-allothreonyl-(S)-phenylalanyl-(R)-ornithyl-(S)-2-(p-((2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)oxy)phenyl)glycyl-(2R,3R)-allothreonyl-(S)-2-(p-hydroxyphenyl)glycylglycyl-(S)-leucyl-(R)-alanyl)glycine psi1-lactone Ramoplanin A 1 (peptide moiety), 1-(N(sup 2)-methyl-1-oxo-2,4-nonadienyl)-L-asparagine)-11-(L-2-(4-((2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)oxy)phenyl)glycine)-, (Z,Z)- UNII-UH11FDQ454 (CAS 81988-89-8)
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