4,6,7-Trichloro-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile CAS 63314-49-8
| CAS No. | 63314-49-8 |
| Molecular Formula | C9H2Cl3NO2 |
| Molecular Weight | 262.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4,6,7-Trichloro-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4,6,7-Trichloro-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile (CAS 63314-49-8), a certified reference material (molecular formula C9H2Cl3NO2, MW 262.48 g/mol) for analytical method development and quality control.
The molecular framework of 4,6,7-Trichloro-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile (C9H2Cl3NO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine 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).
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.
CATO manufactures 4,6,7-Trichloro-3-oxo-1,3-dihydroisobenzofuran-5-carbonitrile 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 | C9H2Cl3NO2 |
| Molecular Weight | 262.48 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1975 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Trichloro Standards
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- Benzyl (R)-3-isopropylpiperazine-1-carboxylate hydrochloride (CAS 1217604-33-5)
- glycine linoleamide (CAS 2764-03-6)
- Methyl(4-(methylthio)phenyl)(phenyl)-l4-sulfaneyl trifluoromethanesulfonate (CAS 1029635-42-4)
- 4-(2-Chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide (CAS 692732-93-7)
- 3-Acetyl-5-chlorobenzonitrile (CAS 1393581-95-7)
- Semaglutide impurity 236 (CAS CATO-C4X-2226236)
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