1-(3-Chlorobenzoyl)octahydro-1h-indole-2-carboxylic acid CAS 1102899-69-3
| CAS No. | 1102899-69-3 |
| Molecular Formula | C16H18ClNO3 |
| Molecular Weight | 307.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(3-Chlorobenzoyl)octahydro-1h-indole-2-carboxylic acid 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.
1-(3-Chlorobenzoyl)octahydro-1h-indole-2-carboxylic acid (CAS 1102899-69-3) is a high-purity analytical reference standard with the molecular formula C16H18ClNO3 and a molecular weight of 307.77 g/mol.
Based on its molecular formula C16H18ClNO3, 1-(3-Chlorobenzoyl)octahydro-1h-indole-2-carboxylic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 307.77 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C16H18ClNO3 |
| Molecular Weight | 307.77 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 sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorobenzoyl Standards
- 1-(4-Chlorobenzoyl)octahydro-1h-indole-2-carboxylic acid (CAS 1102905-51-0)
- N'-(4-chlorobenzoyl)-1,3,5-trimethyl-1H-pyrazole-4-carbohydrazide (CAS 477711-80-1)
- 5-(4-Chlorobenzoyl)-3-methylthieno[2,3-c][1,2]thiazol-4-amine (CAS 339017-37-7)
- 1-(2-chlorobenzoyl)-4-phenyl-3-thiosemicarbazide (CAS 26036-04-4)
- 4-(2-Chlorobenzoyl)-N-[(1Z)-(methoxyimino)methyl]-1H-pyrrole-2-carboxamide (CAS 338977-23-4)
- 4-(4-Chlorobenzoyl)-N-[(methoxyimino)methyl]-1H-pyrrole-2-carboxamide (CAS 241146-83-8)
- 2-(4-Chlorobenzoyl)-2H,4H-chromeno[4,3-c]pyrazole (CAS 866051-35-6)
- 3-[4-(2-Chlorobenzoyl)-1-piperazinyl]-3-oxopropanoic acid (CAS 896508-28-4)
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