CAS Number219552-64-4
Synonyms2-Methyl-2-propanyl 6-nitro-1H-indole-1-carboxylate; tert-Butyl 6-nitro-1H-indole-1-carboxylate; 6-Nitro-indole-1-carboxylic acid t-butyl ester; WT752; 1H-Indole-1-carboxylic acid, 6-nitro-, 1,1-dimethylethyl ester; 1-Boc-6-nitroindole
Molecular FormulaC13H14N2O4
Molecular Weight296.16
Purity96+%
Density1.3±0.1 g/cm3
Boiling Point395.3±34.0 °C at 760 mmHg
Appearancesolid
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 219552-64-4 |
| Catalog No. | 2A-0165720 |
| Chinese Name | 6-硝基-1H-吲哚-1-羧酸叔丁酯 |
| Synonyms | 2-Methyl-2-propanyl 6-nitro-1H-indole-1-carboxylate; tert-Butyl 6-nitro-1H-indole-1-carboxylate; 6-Nitro-indole-1-carboxylic acid t-butyl ester; WT752; 1H-Indole-1-carboxylic acid, 6-nitro-, 1,1-dimethylethyl ester; 1-Boc-6-nitroindole |
| Molecular Formula | C13H14N2O4 |
| Molecular Weight | 296.16 |
| Purity | 96+ |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 395.3±34.0 °C at 760 mmHg |
| Appearance | solid |
| Storage Condition | 2-8°C, dry and sealed |
| EINECS | 0 |
| HTC | 2933990090 |
| UN(IATA) | 0 |
| PubChem ID | 329826492 |
| MDL Number | MFCD09954826 |
| SMILES | O=C(OC(C)(C)C)N1C=CC2=CC=C(Br)C=C12 |
| InChI | 1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-8H,1-3H3 |
| InChI Key | OUOWFTDOMYJYKB-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/165720_1_219552_64_4.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C13H14N2O4 Molecular weight:262.3 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information HS Code 2933990090 Synthetic Route Total: 1 Page 6-Nitro-1H-indole CAS#:4769-96-4 Di-tert-butyl d... CAS#:24424-99-5 tert-butyl 6-ni... CAS#:219552-64-4 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 23 p. 6481 - 6488 6-Nitro-1H-indole CAS#:4769-96-4 tert-butyl 6-ni... CAS#:219552-64-4 Literature: US6372759 B1, ; US 6372759 B1 Precursor & DownStream Precursor 2 CAS#:4769-96-4 6-Nitro-1H-indole CAS#:24424-99-5 Di-tert-butyl d... DownStream 1 CAS#:129488-00-2 tert-butyl 6-am... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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