1-(3-Chlorophenyl)-2,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one CAS 164226-66-8
| CAS No. | 164226-66-8 |
| Molecular Formula | C17H18ClNO |
| Molecular Weight | 287.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(3-Chlorophenyl)-2,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-(3-Chlorophenyl)-2,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one (CAS 164226-66-8), molecular formula C17H18ClNO and molecular weight 287.78 g/mol, is a CATO reference standard with documented purity and traceability.
1-(3-Chlorophenyl)-2,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one (C17H18ClNO) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; 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.
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 | C17H18ClNO |
| Molecular Weight | 287.78 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorophenyl Standards
- 1-(4-Chlorophenyl)-2,6,6-trimethyl-6,7-dihydro-1H-indol-4(5H)-one (CAS 163083-11-2)
- 1-(4-Chlorophenyl)-3-((3,4-dimethylphenyl)amino)propan-1-one (CAS 444148-82-7)
- 1-(4-Chlorophenyl)-3-((4-ethylphenyl)amino)propan-1-one (CAS 477320-25-5)
- 2-(4-Chlorophenyl)-3,4-dimethyl-5-phenyloxazolidine (CAS 30403-82-8)
- 4-(4-Chlorophenyl)-5-phenyl-4h-1,2,4-triazol-3-yl hydrosulfide (CAS 170235-50-4)
- 3-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione (CAS 23711-34-4)
- 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione (CAS 477889-21-7)
- 4-[2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidine (CAS 499796-02-0)
Recommended Standards
- 2-chloro-N-(3,3-diphenylpropyl)acetamide (CAS 137075-21-9)
- 4-(tert-Butyl)-N-(4-chlorophenyl)benzamide (CAS 129488-46-6)
- 2-Chloro-5-(4-pentylbenzoyl)pyridine (CAS 1187169-42-1)
- 2-Chloro-1-[1-(2,3-dihydro-1h-inden-5-yl)-2,5-dimethyl-1h-pyrrol-3-yl]ethan-1-one (CAS 852840-44-9)
- 6-Chloroimidazo[1,2-b]pyridazine-3-carboxylic Acid (CAS 1208084-53-0)
- 1,1 inverted exclamation marka-Diethyl-4,4 inverted exclamation marka-bipyridinium dibromide 53721-12-3 Ethyl viologen dibromide (CAS 53721-12-3)
- 2-Benzyloctahydro-1H-pyrido[1,2-a]pyrazin-7-ol (CAS 1779652-18-4)
- (R)-2-amino-2-(6-chloropyridin-3-yl)ethan-1-ol hydrochloride (CAS 2089671-27-0)
- 3-(Aminomethyl)-3,5,5-trimethylcyclohexanol hydrochloride (CAS 1363404-90-3)
- 3-[1-(Cyclopropylmethyl)-1H-imidazol-2-yl]piperidine dihydrochloride (CAS 1823962-21-5)
- 2-Chloro-1-(3-chloro-2-methylphenyl)-2,2-difluoroethan-1-one (CAS 1352222-04-8)
- Potassium Clavulanate EP Impurity F (CAS 1260857-16-6)
- 2-((5-(4-Chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide (CAS 771517-41-0)
- Semaglutide Impurity 184 (CAS CATO-C4X-2226184)
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