CAS Number1217500-59-8
Synonyms(6-Bromo-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid; [6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid; 1H-Indole-1-carboxylic acid, 2-borono-6-bromo-, 1,1-dimethylethyl ester
Molecular FormulaC13H15BBrNO4
Molecular Weight339.98
Purity96+%
Density1.5±0.1 g/cm3
Boiling Point488.3±55.0 °C at 760 mmHg
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1217500-59-8 |
| Catalog No. | 2A-0098506 |
| Chinese Name | N-Boc-6-溴吲哚-2-硼酸 |
| Synonyms | (6-Bromo-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid; [6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid; 1H-Indole-1-carboxylic acid, 2-borono-6-bromo-, 1,1-dimethylethyl ester |
| Molecular Formula | C13H15BBrNO4 |
| Molecular Weight | 339.98 |
| Purity | 96+ |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 488.3±55.0 °C at 760 mmHg |
| Storage Condition | 2-8°C |
| EINECS | 0 |
| HTC | 2933990090 |
| UN(IATA) | 0 |
| PubChem ID | 124272024 |
| SMILES | CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(Br)cc21 |
| InChI | InChI=1S/C13H15BBrNO4/c1-13(2,3)20-12(17)16-10-7-9(15)5-4-8(10)6-11(16)14(18)19/h4-7,18-19H,1-3H3 |
| InChI Key | RMYFCWUHNRAJJC-UHFFFAOYSA-N |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, under −20◦C. 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:C13H15BBrNO4 Molecular weight:340.0 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 HS Code 2933990090 Synthetic Route Total: 1 Page tert-Butyl 6-br... CAS#:147621-26-9 (6-Bromo-1-(ter... CAS#:1217500-59-8 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 6 p. 1852 - 1856 6-bromoindole CAS#:52415-29-9 (6-Bromo-1-(ter... CAS#:1217500-59-8 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 6 p. 1852 - 1856 Di-tert-butyl c... CAS#:34619-03-9 (6-Bromo-1-(ter... CAS#:1217500-59-8 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 6 p. 1852 - 1856 Precursor & DownStream Precursor 3 CAS#:147621-26-9 tert-Butyl 6-br... CAS#:52415-29-9 6-bromoindole CAS#:34619-03-9 Di-tert-butyl c... DownStream 0 |
| 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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