850864-49-2 Benzoic acid, 3-iodo-5-nitro-, ethyl ester CAS 850864-49-2
| CAS No. | 850864-49-2 |
| Molecular Formula | C9H8INO4 |
| Molecular Weight | 321.07 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
850864-49-2 Benzoic acid, 3-iodo-5-nitro-, ethyl ester (C9H8INO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 850864-49-2 Benzoic acid, 3-iodo-5-nitro-, ethyl ester (CAS 850864-49-2), a certified reference material (molecular formula C9H8INO4, MW 321.07 g/mol) for analytical method development and quality control.
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), 850864-49-2 Benzoic acid, 3-iodo-5-nitro-, ethyl ester 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 | C9H8INO4 |
| Molecular Weight | 321.07 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 sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
Related Benzoic Standards
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- Benzoic acid, 2-amino-5-methoxy-4-[3-(4-morpholinyl)propoxy]-, methyl ester (CAS 574738-67-3)
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Recommended Standards
- Methyl 3-iodo-4-methyl-5-nitrobenzoate (CAS 21323-99-9)
- (4-((Tert-butyldimethylsilyl)oxy)-3,5-dichlorophenyl)boronic acid (CAS 1150114-46-7)
- Methyl 2-iodo-5-methyl-3-nitrobenzoate (CAS 854645-22-0)
- tributyl(methoxy)stannane (CAS 1067-52-3)
- 2-Amino-3-(2-methoxy-5-methylphenyl)propanoic acid (CAS 603105-75-5)
- (9S)- 6'-[1,1'-biphenyl]-4-yl-3,9-epoxy-10,11-dihydrocinchonan (CAS 1307915-68-9)
- 6,8-Dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-3-carbaldehyde (CAS 127787-58-0)
- 1-(Propane-2-sulfonyl)piperidin-3-one (CAS 1016539-03-9)
- Ketorolac EP Impurity I (CAS 113502-55-9)
- 2-(4-methylphenyl)propan-1-amine (CAS 4395-75-9)
- 5-(Difluoromethyl)-3,4-diiodopicolinonitrile (CAS 1805156-33-5)
- Ethyl 5-bromo-2-fluoro-3-pyridinecarboxylate (CAS 1214362-74-9)
- 2-(Methylthio)-5,6,7,8-tetrahydroquinazoline (CAS 634611-63-5)
- Semaglutide Impurity 144 (CAS 394210-59-4)
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