| Chemical & Physical Properties | |
|---|---|
| CAS Number | 182344-70-3 |
| Catalog No. | 2A-9077138 |
| Chinese Name | 5-溴-1H-吲哚-1-甲酸叔丁酯 |
| Synonyms | MFCD02090067; Tert-Butyl 5-Bromoindole-1-Carboxylate |
| Molecular Formula | C13H14BrNO2 |
| Molecular Weight | 296.16 |
| Purity | 97 |
| Density | 1.37g/cm3 |
| Boiling Point | 367.9ºC at 760mmHg |
| Melting Point | 56-57 °C (lit.) |
| Appearance | solid |
| Storage Condition | Store airtight in a cool, dry warehouse. |
| HTC | 2933990090 |
| PubChem ID | 24879694 |
| MDL Number | MFCD02090067 |
| SMILES | CC(C)(C)OC(=O)n1ccc2cc(Br)ccc12 |
| InChI | 1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3 |
| InChI Key | PBWDRTGTQIXVBR-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Use of | health and chemical hazard data given on this sheet. Storage: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:No data Flash point:No data Molecular formula: C13H14BrNO2 Molecular weight: 296.2 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 Signal Word Warning Hazard Statements H315-H319-H335 Precautionary Statements P261-P305 + P351 + P338 Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves Hazard Codes Xi: Irritant; Safety Phrases 26-36 RIDADR NONH for all modes of transport HS Code 2933990090 Synthetic Route 5-Bromoindole CAS#:10075-50-0 Di-tert-butyl d... CAS#:24424-99-5 TERT-BUTYL 5-BR... CAS#:182344-70-3 Literature: Takeda Pharmaceutical Company Limited Patent: EP1731505 A1, 2006 ; Location in patent: Page/Page column 29-30 ; EP 1731505 A1 6-bromoindole CAS#:52415-29-9 Di-tert-butyl d... CAS#:24424-99-5 TERT-BUTYL 5-BR... CAS#:182344-70-3 tert-Butyl carbamate CAS#:4248-19-5 (Z)-1,4-dibromo... CAS#:1129606-89-8 TERT-BUTYL 5-BR... CAS#:182344-70-3 Literature: Hodgkinson, Roy C.; Schulz, Jurgen; Willis, Michael C. Organic and Biomolecular Chemistry, 2009 , vol. 7, # 3 p. 432 - 434 |
| 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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