1-Benzyl-1,5,6,7-tetrahydro-4H-indol-4-one CAS 13671-74-4
| CAS No. | 13671-74-4 |
| Molecular Formula | C12H18N4O6S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies 1-Benzyl-1,5,6,7-tetrahydro-4H-indol-4-one (CAS 13671-74-4), a certified reference material (molecular formula C12H18N4O6SC13H16F3N3O4, MW 681.64 g/mol) for analytical method development and quality control.
Structurally, 1-Benzyl-1,5,6,7-tetrahydro-4H-indol-4-one (C12H18N4O6SC13H16F3N3O4) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 681.64 g/mol, it falls into the high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C12H18N4O6S C13H16F3N3O4 |
| Molecular Weight | 681.64 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1960 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 7 |
| Sulfur Atoms | 1 |
Related Benzyl Standards
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Recommended Standards
- 3-[(oxan-4-yloxy)methyl]benzoic acid (CAS 1304829-19-3)
- 1,5-Dimethyl-2-pyrrolecarbonitrile 1,5-dimethyl-1H-pyrrole-2-carbonitrile 56341-36-7 (CAS 56341-36-7)
- 1-(2,4-Dichlorophenyl)cyclopropanecarboxylic Acid (CAS 84604-70-6)
- 7-Aminothieno[2,3-b]pyrazine-6-carboxylic acid (CAS 56881-31-3)
- 1-Phenylcyclobutanecarbonitrile (CAS 14377-68-5)
- 1-(4-Bromo-1H-indol-3-yl)ethanone (CAS 195874-03-4)
- Ethyl 3-imino-3-(1-methylethoxy)-propanoate hydrochloride (CAS 16516-08-8)
- Sitafloxacin (CAS 127254-12-0)
- 5-Acetyl-2,2-dimethylcyclopentan-1-one (CAS 2570-70-9)
- Semaglutide impurity 89 (CAS CATO-C4X-222689)
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