4-Iodo-2-(trifluoromethyl)nicotinic acid CAS 749875-19-2
| CAS No. | 749875-19-2 |
| Molecular Formula | C7H3F3INO2 |
| Molecular Weight | 317.00 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 317.00 g/mol gives 4-Iodo-2-(trifluoromethyl)nicotinic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Iodo-2-(trifluoromethyl)nicotinic acid (CAS 749875-19-2), molecular formula C7H3F3INO2 and molecular weight 317.00 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Iodo-2-(trifluoromethyl)nicotinic acid (C7H3F3INO2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/iodine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 317.00 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C7H3F3INO2 |
| Molecular Weight | 317.00 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 1 |
Related Iodo Standards
- 3-Iodo-5-(trifluoromethyl)picolinic acid (CAS 1207845-83-7)
- 4-Iodo-2-nitro-1-(trifluoromethyl)benzene (CAS 1227582-70-8)
- 2-Iodo-4-nitro-1-(trifluoromethyl)benzene (CAS 1228898-12-1)
- 4-Iodo-6-(trifluoromethyl)picolinic acid (CAS 1393544-43-8)
- 2-Iodo-6-(trifluoromethyl)isonicotinic acid (CAS 1393576-24-3)
- 2-Iodo-1-nitro-4-(trifluoromethyl)benzene (CAS 16499-53-9)
- 4-Iodo-6-(trifluoromethyl)nicotinic acid (CAS 1803792-47-3)
- 5-Iodo-6-(trifluoromethyl)nicotinic acid (CAS 1805028-51-6)
Recommended Standards
- 4-Iodo-1-nitro-2-(trifluoromethyl)benzene (CAS 393-10-2)
- 1-(bromomethyl)-3-iodo-2-methylbenzene (CAS 950577-16-9)
- 3-Nitro-5-iodobenzotrifluoride (CAS 41253-01-4)
- 2-(3,5-Dichloro-4-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1320397-14-5)
- 1-(2-Fluoropyridin-4-yl)ethanol (CAS 137718-85-5)
- tert-Butyl 4-((4-(1H-indol-4-yl)piperazin-1-yl)methyl)benzoate (CAS 1044764-12-6)
- 1-(1H-Pyrazol-3-yl)propan-2-amine (CAS 1017783-22-0)
- 7-(Furan-2-yl)-N-(4-methoxybenzyl)-1,4-thiazepane-4-carboxamide (CAS 1705434-53-2)
- Benzo[b]thieno[3,2-d]thiophene (CAS 247-16-5)
- Isopropyl Methanesulfonate (CAS 926-06-7)
- 2,4-Dibromo-6-fluorobenzamide (CAS 904285-17-2)
- 4-Methylaminomethylphenylboronic acid (CAS 518336-26-0)
- 4-Amino-2,5-dimethoxypyrimidine (CAS 6960-17-4)
- Ephrin-A2-Selective YSA-Peptide (CAS 532441-10-4)
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