Methyl 3-iodo-4-(trifluoromethoxy)benzoate CAS 1131614-65-7
| CAS No. | 1131614-65-7 |
| Molecular Formula | C9H6F3IO3 |
| Molecular Weight | 346.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 3-iodo-4-(trifluoromethoxy)benzoate (CAS 1131614-65-7), molecular formula C9H6F3IO3 and molecular weight 346.04 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 3-iodo-4-(trifluoromethoxy)benzoate (C9H6F3IO3) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/iodine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO manufactures Methyl 3-iodo-4-(trifluoromethoxy)benzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H6F3IO3 |
| Molecular Weight | 346.04 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; 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.) | 1989 |
| Halogen Content | F/I-containing |
Related Methyl Standards
- Methyl 5-iodo-2-(trifluoromethoxy)benzoate (CAS 1131605-40-7)
- 3-Iodo-4-(2,2,2-trifluoroethoxy)benzoic acid (CAS 1131614-66-8)
- 4-Iodo-3-(2,2,2-trifluoroethoxy)benzoic acid (CAS 1698670-68-6)
- 2-Iodo-6-methyl-4-(trifluoromethoxy)benzoic acid (CAS 2167468-16-6)
- 4-Iodo-1-(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazole (CAS 2442523-10-4)
- 2-Iodo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS 1245635-14-6)
- 2-Iodo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS 1245635-34-0)
- 4-Iodo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS 1256781-71-1)
Recommended Standards
- Methyl 2-hydroxy-5-iodo-4-(trifluoromethyl)benzoate (CAS 1131587-48-8)
- (2E)-1,3-Bis(2,4-dichlorophenyl)prop-2-en-1-one (CAS 1335135-71-1)
- 2-Bromo-4-(tert-butyl)-5-iodothiazole (CAS 2656382-14-6)
- (2E)-3-(2,4-Dichlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one (CAS 1354941-94-8)
- 4-Ethoxyphenyl 2-chloroacetate (CAS 119929-85-0)
- 4-(Benzyloxy)-1H-indole-7-carboxylic acid (CAS 2173992-25-9)
- 4-(((4-Hydroxy-2-methylphenyl)imino)methyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one (CAS 338403-32-0)
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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