tert-butyl 6-chloro-1H-indole-1-carboxylate CAS 323580-68-3
| CAS No. | 323580-68-3 |
| Molecular Formula | C13H14ClNO2 |
| Molecular Weight | 251.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of tert-butyl 6-chloro-1H-indole-1-carboxylate 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 tert-butyl 6-chloro-1H-indole-1-carboxylate (CAS 323580-68-3), a certified reference material (molecular formula C13H14ClNO2, MW 251.71 g/mol) for analytical method development and quality control.
Based on its molecular formula C13H14ClNO2, tert-butyl 6-chloro-1H-indole-1-carboxylate 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 251.71 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C13H14ClNO2 |
| Molecular Weight | 251.71 g/mol |
| Appearance | Off-white to pale 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; 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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- tert-Butyl (2-chloro-5-ethynylphenyl)carbamate (CAS 2228761-45-1)
- 2-Chloro-N-[1-(1-methyl-1H-benzimidazol-2-yl)-ethyl]acetamide 2068AF 887573-34-4 C12H14ClN3O (CAS 887573-34-4)
- tert-Butyl (2-chloro-4-ethynylphenyl)carbamate (CAS 880652-57-3)
- CAS CATO-C3D-262676 (CAS CATO-C3D-262676)
- 2-(1-Cyanoethyl)benzonitrile (CAS 1071119-13-5)
- 2-((Phenylsulfonyl)methyl)benzonitrile (CAS 82651-72-7)
- (4-Fluoroazepan-4-yl)methanol hydrochloride (CAS 1823319-26-1)
- (3S,6S)-3-Methyl-6-(prop-1-en-2-yl)dec-9-en-1-yl acetate (CAS 67601-10-9)
- N-(4-Chlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide (CAS 337501-79-8)
- 3-Phenethyl-piperidine Hydrochloride (CAS 745817-12-3)
- Cefaclor Impurity 55 (CAS CATO-C4X-127055)
- Tiotropium impurity 46 (CAS 7688-76-8)
- 1,3-Thiazinane-4-carboxylic acid (CAS 60175-95-3)
- Semaglutide impurity 104(Fmoc-D-His-Aib) (CAS 2171211-18-8)
Why CATO?
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