CAS Number96551-21-2
Synonyms[3-(Bromomethyl)-1H-indol-1-yl][(2-methyl-2-propanyl)oxy]methanol; 3-(bromomethyl)-1-(tert-butyloxycarbonyl)indole; 1-(tert-butoxycarbonyl)-3-(bromomethyl)indole; tert-Butyl 3-(bromomethyl)-1H-indole-1-carboxylate; 1-(tert-butyloxycarbonyl)-3-(bromomethyl)indole; tert-Butyl 3-Bromomethyl-indole-1-carboxylate; t-Butyl-3-bromomethylindole-1-carboxylate; t-Butyl-3-bromo methylindole-1-carboxylate
Molecular FormulaC14H18BrNO2
Molecular Weight312.202
Density1.4±0.1 g/cm3
Boiling Point362.8±42.0 °C at 760 mmHg
Melting Point106ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 96551-21-2 |
| Catalog No. | 2A-9082747 |
| Chinese Name | 叔丁基3-溴甲基-吲哚-1-羧酸酯 |
| Synonyms | [3-(Bromomethyl)-1H-indol-1-yl][(2-methyl-2-propanyl)oxy]methanol; 3-(bromomethyl)-1-(tert-butyloxycarbonyl)indole; 1-(tert-butoxycarbonyl)-3-(bromomethyl)indole; tert-Butyl 3-(bromomethyl)-1H-indole-1-carboxylate; 1-(tert-butyloxycarbonyl)-3-(bromomethyl)indole; tert-Butyl 3-Bromomethyl-indole-1-carboxylate; t-Butyl-3-bromomethylindole-1-carboxylate; t-Butyl-3-bromo methylindole-1-carboxylate |
| Molecular Formula | C14H18BrNO2 |
| Molecular Weight | 312.202 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 362.8±42.0 °C at 760 mmHg |
| Melting Point | 106ºC |
| Storage Condition | room temperature, dry |
| HTC | 2933990090 |
| SMILES | CC(C)(C)OC(=O)n1cc(CBr)c2ccccc21 |
| InChI Key | NRFDZZBPGMUOQD-UHFFFAOYSA-N |
| MSDS | msds/82747_1_96551_21_2.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:C14H16BrNO2 Molecular weight:310.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide. 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 1-Boc-3-Hydroxy... CAS#:96551-22-3 t-Butyl-3-bromo... CAS#:96551-21-2 Literature: Indiana University Foundation Patent: US5554753 A1, 1996 ; tert-butyl 3-me... CAS#:89378-43-8 t-Butyl-3-bromo... CAS#:96551-21-2 Literature: Zhao, Shuo; Gan, Tong; Yu, Peng; Cook, James M. Tetrahedron Letters, 1998 , vol. 39, # 39 p. 7009 - 7012 Di-tert-butyl d... CAS#:24424-99-5 t-Butyl-3-bromo... CAS#:96551-21-2 Literature: Tetrahedron Letters, , vol. 39, # 39 p. 7009 - 7012 |
| 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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