2-(Tert-butyl)-6-fluoro-5-nitro-1H-indole CAS 952664-72-1
| CAS No. | 952664-72-1 |
| Molecular Formula | C12H13FN2O2 |
| Molecular Weight | 236.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(Tert-butyl)-6-fluoro-5-nitro-1H-indole (CAS 952664-72-1), molecular formula C12H13FN2O2 and molecular weight 236.24 g/mol, is a CATO reference standard with documented purity and traceability.
2-(Tert-butyl)-6-fluoro-5-nitro-1H-indole (C12H13FN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; 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.
As a certified reference material (CRM), 2-(Tert-butyl)-6-fluoro-5-nitro-1H-indole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H13FN2O2 |
| Molecular Weight | 236.24 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 sealed and dry, keep tightly closed to prevent evaporation |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 2-(Methoxycarbonyl)benzo[b]thiophene-6-carboxylic acid (CAS 330801-81-5)
- 2-(Tert-butyl)-7-fluoro-5-nitro-1H-indole (CAS 952664-94-7)
- 2-(Cyano(phenyl)methyl)-6-fluorobenzonitrile (CAS 338791-66-5)
- 2,5-dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate (CAS 58416-04-9)
- methyl 3-methoxy-5-(trifluoromethyl)thiophene-2-carboxylate (CAS 181063-89-8)
- 2-(Difluoromethyl)-2-methylcyclopropan-1-amine hydrochloride (CAS 2411265-47-7)
- 1-(3-bromopropyl)-3-nitro-1H-pyrazole (CAS 1250489-44-1)
- (R)-1-(3,5-Bis(trifluoromethyl)phenyl)-N-methylethan-1-amine (S)-2-hydroxysuccinate (CAS 935534-56-8)
- 4-Fluoro-3'-methyl-[1,1'-biphenyl]-3-carbaldehyde (CAS 1183311-26-3)
- Di-tert-butyl 2-oxosuccinate (CAS 64336-61-4)
- 2-Oxo-1,2-dihydrobenzo[g]quinoline-3-carbaldehyde (CAS 880856-15-5)
- (4E)-4-[(2H-1,3-Benzodioxol-5-yl)methylidene]-2-(morpholin-4-yl)-4,5-dihydro-1H-imidazol-5-one (CAS 860611-97-8)
- 2-(4-Chloro-2-methoxyphenyl)acetic acid (CAS 170737-95-8)
- His-Aib-Semaglutide (CAS CATO-C4X-2226220)
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