6-amino-5-fluoro-3-methyl-3H-isobenzofuran-1-one CAS 2231233-91-1
| CAS No. | 2231233-91-1 |
| Molecular Formula | C9H14FNO2 |
| Molecular Weight | 187.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-amino-5-fluoro-3-methyl-3H-isobenzofuran-1-one is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
6-amino-5-fluoro-3-methyl-3H-isobenzofuran-1-one (CAS 2231233-91-1) is a high-purity analytical reference standard with the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol.
The molecular framework of 6-amino-5-fluoro-3-methyl-3H-isobenzofuran-1-one (C9H14FNO2) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).
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 | C9H14FNO2 |
| Molecular Weight | 187.21 g/mol |
| Appearance | 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 tightly closed to prevent evaporation |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 5-fluoro-1H-indole-6-carboxylic acid (CAS 908600-74-8)
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- 5-Chloro-1-ethyl-1h-pyrazole-4-carboxylic acid (CAS 339987-19-8)
- 1-(3-Bromo-4-ethylphenyl)ethan-1-one (CAS 90841-42-2)
- Methyl (2e)-3-[4-(chlorosulfonyl)phenyl]prop-2-enoate (CAS 1133001-67-8)
- 5-(3-Chloro-4-ethoxyphenyl)-1H-pyrazole-3-carboxylic acid (CAS 1037719-40-6)
- 6-Phenyl-3-(pyrrolidin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 1713713-68-8)
- 2-(Trifluoromethyl)-imidazo[1,2-a]pyridin-8-amine (CAS 185133-82-8)
- Peptide 437 (CAS CATO-CPTD788437)
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