Nonanoic acid 5-bromo-4-chloro-1H-indol-3-yl ester CAS 133950-77-3
| CAS No. | 133950-77-3 |
| Molecular Formula | C17H21BrClNO2 |
| Molecular Weight | 386.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Nonanoic acid 5-bromo-4-chloro-1H-indol-3-yl ester.
Nonanoic acid 5-bromo-4-chloro-1H-indol-3-yl ester (CAS 133950-77-3), molecular formula C17H21BrClNO2 and molecular weight 386.71 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Nonanoic acid 5-bromo-4-chloro-1H-indol-3-yl ester (C17H21BrClNO2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 386.71 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C17H21BrClNO2 |
| Molecular Weight | 386.71 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |
Related Nonanoic Standards
- n-Nonanoic acid 4-(5-n-decyl-pyrimidin-2-yl)phenyl ester (CAS 129470-93-5)
- Nonanoic anhydride (CAS 1680-36-0)
- 9-Phenyl-nonanoic Acid (CAS 16269-06-0)
- Nonanoic acid propyl ester (CAS 6513-03-7)
- Nonanoic Acid Ethyl Ester (CAS 123-29-5)
- N-Nonanoic Acid-d17 (CAS 130348-94-6)
- Nonanoic-6,6,7,7-d4 Acid (CAS 1219795-27-3)
- n-Nonanoic-9,9,9-d3 acid (CAS 134646-27-8)
Recommended Standards
- abb (20R,24S)-24-Methylcholestane (CAS 71117-90-3)
- Brexpiprazole impurity 72 (CAS CATO-C4X-113172)
- aaa (20R,24S)-24-Methylcholestane (CAS 511-20-6)
- Brexpiprazole impurity 82 (CAS 2247155-43-5)
- 5-Amino-1-(2-hydroxyethyl)pyrimidine-2,4(1h,3h)-dione (CAS 1341866-15-6)
- 2H,3H,5H,6H,8H-[1,2,4]Triazolo[3,4-c]morpholine-3-thione (CAS 18596-87-7)
- N-(2-acetamidophenethyl)-1-hydroxy-2-naphthamide (CAS 5254-41-1)
- 7-Ethoxy-2,3-dihydro-1h-indol-2-one (CAS 1260861-22-0)
- 4-Bromo-1H-benzo[d]imidazole-2-carbaldehyde (CAS 1420795-07-8)
- 6-Hydroxypyrimidine-4-carbohydrazide (CAS 98021-41-1)
- Regadenoson Hydrate (CAS 875148-45-1)
- 3-(3-Chlorophenyl)-5-(thiophen-2-yl)-1H-1,2,4-triazole (CAS 1284384-52-6)
- 2-(3-Chlorophenyl)propanoic acid (CAS 14161-84-3)
- Insulin Degludec Impurity 10 (CAS CATO-C4X-215710)
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