Methyl 4-cyano-3-fluoro-2-iodobenzoate CAS 1807159-19-8
| CAS No. | 1807159-19-8 |
| Molecular Formula | C9H5FINO2 |
| Molecular Weight | 305.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Methyl 4-cyano-3-fluoro-2-iodobenzoate.
CATO supplies Methyl 4-cyano-3-fluoro-2-iodobenzoate (CAS 1807159-19-8), a certified reference material (molecular formula C9H5FINO2, MW 305.04 g/mol) for analytical method development and quality control.
Structurally, Methyl 4-cyano-3-fluoro-2-iodobenzoate (C9H5FINO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 305.04 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C9H5FINO2 |
| Molecular Weight | 305.04 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 2-(Aminomethyl)-4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine (CAS 1806923-05-6)
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- 5-(Bromomethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-amine (CAS 1806799-63-2)
- 1-Bromo-2-methyl-4-pentafluoroethoxybenzene (CAS 1965305-10-5)
- 5-Bromo-2-methyl-3-nitrophenol (CAS 864550-41-4)
- Methacrylic acid compound with tert-butyl acrylate and ethyl acrylate (1:1:1) (CAS 159666-35-0)
- 4-(3-Methyl-butoxy)-benzaldehyde (CAS 18986-09-9)
- 2-Methyl-1-(5-methylfuran-2-yl)propan-1-one (CAS 90673-64-6)
- (5E)-6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid (CAS 121365-28-4)
- 4-Bromo-2-methylbut-3-yn-2-ol (CAS 2063-19-6)
- 4-(4-(Trifluoromethyl)phenyl)oxazolidin-2-one (CAS 1486650-17-2)
- AG 490, m-CF3 (CAS 581797-29-7)
- 2-Hydroxy-1-(1-naphthyl)ethanone (CAS 131496-21-4)
- Semaglutide impurity 286 (CAS CATO-C4X-2226286)
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