CAS Number325800-39-3
Synonymstert-Butyl 5-bromo-3-formyl-1H-indole-1-carboxylate; tert-butyl 5-bromo-3-formylindolecarboxylate; 1-Boc-5-Bromo-3-formylindole; 5-Bromo-1H-indole-3-carboxaldehyde,N-BOC protected; 1H-INDOLE-1-CARBOXYLIC ACID,5-BROMO-3-FORMYL-,1,1-DIMETHYLETHYL ESTER; 1-tert-butoxycarbonyl-5-bromoindole-3-carboxaldehyde; 5-BROMO-3-FORMYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER; 1-(tert-butoxycarbonyl)-5-bromoindol-3-carboxaldehyde; 5-Bromo-1-(tert-butoxycarbonyl)-3-formyl-1H-indole; Boc-5-bromoindol-3-yl carboxaldehyde
Molecular FormulaC14H14BrNO3
Molecular Weight324.17
Density1.42g/cm3
Boiling Point426.7ºC at 760mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 325800-39-3 |
| Catalog No. | 2A-9074538 |
| Chinese Name | 5-溴-3-甲酰基吲哚-1-羧酸叔丁酯 |
| Synonyms | tert-Butyl 5-bromo-3-formyl-1H-indole-1-carboxylate; tert-butyl 5-bromo-3-formylindolecarboxylate; 1-Boc-5-Bromo-3-formylindole; 5-Bromo-1H-indole-3-carboxaldehyde,N-BOC protected; 1H-INDOLE-1-CARBOXYLIC ACID,5-BROMO-3-FORMYL-,1,1-DIMETHYLETHYL ESTER; 1-tert-butoxycarbonyl-5-bromoindole-3-carboxaldehyde; 5-BROMO-3-FORMYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER; 1-(tert-butoxycarbonyl)-5-bromoindol-3-carboxaldehyde; 5-Bromo-1-(tert-butoxycarbonyl)-3-formyl-1H-indole; Boc-5-bromoindol-3-yl carboxaldehyde |
| Molecular Formula | C14H14BrNO3 |
| Molecular Weight | 324.17 |
| Density | 1.42g/cm3 |
| Boiling Point | 426.7ºC at 760mmHg |
| Storage Condition | 2-8°C, inert gas atmosphere |
| HTC | 2933990090 |
| PubChem ID | 28931441 |
| SMILES | CC(C)(C)OC(=O)n1cc(C=O)c2cc(Br)ccc21 |
| InChI | InChI=1S/C14H14BrNO3/c1-14(2,3)19-13(18)16-7-9(8-17)11-6-10(15)4-5-12(11)16/h4-8H,1-3H3 |
| InChI Key | SESUUKNLBXWLAZ-UHFFFAOYSA-N |
| 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:C14H14BrNO3 Molecular weight:324.2 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 Hazard Codes Xi: Irritant; HS Code 2933990090 Synthetic Route Total: 1 Page 5-Bromoindole-3... CAS#:877-03-2 Di-tert-butyl d... CAS#:24424-99-5 1-BOC-5-BROMO-3... CAS#:325800-39-3 Literature: Wang, Wei; Xiong, Chiyi; Zhang, Junyi; Hruby, Victor J Tetrahedron, 2002 , vol. 58, # 15 p. 3101 - 3110 Precursor & DownStream Precursor 2 CAS#:877-03-2 5-Bromoindole-3... CAS#:24424-99-5 Di-tert-butyl d... DownStream 2 CAS#:905710-14-7 1-BOC-5-BROMO-3... CAS#:877-03-2 5-Bromoindole-3... |
| 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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