tert-Butyl 3-iodo-6-nitro-1H-indazole-1-carboxylate CAS 586330-18-9
| CAS No. | 586330-18-9 |
| Molecular Formula | C12H12IN3O4 |
| Molecular Weight | 389.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, tert-Butyl 3-iodo-6-nitro-1H-indazole-1-carboxylate (C12H12IN3O4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 389.15 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
tert-Butyl 3-iodo-6-nitro-1H-indazole-1-carboxylate (CAS 586330-18-9), molecular formula C12H12IN3O4 and molecular weight 389.15 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures tert-Butyl 3-iodo-6-nitro-1H-indazole-1-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H12IN3O4 |
| Molecular Weight | 389.15 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 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- tert-Butyl 3-iodo-5-nitro-1H-indazole-1-carboxylate (CAS 459133-69-8)
- tert-Butyl 3-iodo-7-nitro-1H-indazole-1-carboxylate (CAS 874297-10-6)
- 2,2'-(((5-Iodo-1H-benzo[d]imidazol-2-yl)methyl)azanediyl)diacetic acid (CAS 89218-96-2)
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