CAS Number166104-19-4
Synonyms1-Boc-5-nitro-1H-indole; 1-BOC-5-nitro indole; 1H-Indole-1-carboxylic acid, 5-nitro-, 1,1-dimethylethyl ester; N-Boc-5-nitroindole; AB3488; 2-Methyl-2-propanyl 5-nitro-1H-indole-1-carboxylate; tert-Butyl 5-nitro-1H-indole-1-carboxylate; tert-butyl 5-nitro-indole-1-carboxylate; 5-nitroindole-1-carboxylic acid tert-butyl ester
Molecular FormulaC13H14N2O4
Molecular Weight262.26
Density1.3±0.1 g/cm3
Boiling Point395.3±34.0 °C at 760 mmHg
Melting Point115°C
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 166104-19-4 |
| Catalog No. | 2A-9074327 |
| Chinese Name | 5-硝基-1H-吲哚-1-甲酸叔丁酯 |
| Synonyms | 1-Boc-5-nitro-1H-indole; 1-BOC-5-nitro indole; 1H-Indole-1-carboxylic acid, 5-nitro-, 1,1-dimethylethyl ester; N-Boc-5-nitroindole; AB3488; 2-Methyl-2-propanyl 5-nitro-1H-indole-1-carboxylate; tert-Butyl 5-nitro-1H-indole-1-carboxylate; tert-butyl 5-nitro-indole-1-carboxylate; 5-nitroindole-1-carboxylic acid tert-butyl ester |
| Molecular Formula | C13H14N2O4 |
| Molecular Weight | 262.26 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 395.3±34.0 °C at 760 mmHg |
| Melting Point | 115°C |
| Appearance | solid |
| Storage Condition | 2-8°C |
| HTC | 2933990090 |
| PubChem ID | 329830013 |
| MDL Number | MFCD09953094 |
| SMILES | O=[N+](C1=CC=C(N(C=C2)C(OC(C)(C)C)=O)C2=C1)[O-] |
| InChI | 1S/C13H14N2O4/c1-13(2,3)19-12(16)14-7-6-9-8-10(15(17)18)4-5-11(9)14/h4-8H,1-3H3 |
| InChI Key | GSHXPDVMVVLYLH-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/74327_1_166104_19_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 Hazard Codes Xi HS Code 2933990090 Synthetic Route Total: 1 Page Di-tert-butyl d... CAS#:24424-99-5 5-Nitroindole CAS#:6146-52-7 tert-Butyl 5-ni... CAS#:166104-19-4 Literature: Journal of Medicinal Chemistry, , vol. 56, # 15 p. 6273 - 6277 Precursor & DownStream Precursor 2 CAS#:24424-99-5 Di-tert-butyl d... CAS#:6146-52-7 5-Nitroindole DownStream 4 CAS#:6146-52-7 5-Nitroindole CAS#:5192-03-0 5-Aminoindole CAS#:166104-20-7 1-Boc-5-aminoindole CAS#:129487-92-9 Methyl 2,4-dihy... |
| 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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