| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5785-70-6 |
| Catalog No. | 2A-9032170 |
| Chinese Name | 4-乙氧羰基-2-硝基苯硼酸 |
| Synonyms | (4-ethoxycarbonyl-2-nitrophenyl)boronic acid; MFCD02179460 |
| Molecular Formula | C9H10BNO6 |
| Molecular Weight | 238.99000 |
| Purity | 98.00 |
| Density | 1.39g/cm3 |
| Boiling Point | 445.3ºC at 760mmHg |
| Melting Point | 125°C |
| Appearance | White-light yellow crystal-powder |
| Storage Condition | room temperature, dry |
| HTC | 2931900090 |
| SMILES | CCOC(=O)c1ccc(B(O)O)c([N+](=O)[O-])c1 |
| InChI | InChI=1S/C18H14BrNO3/c1-20-15(11-7-9-13(19)10-8-11)14(17(22)18(20)23)16(21)12-5-3-2-4-6-12/h2-10,15,21H,1H3/b16-14+ |
| InChI Key | GCDAYMSNTGTFDC-UHFFFAOYSA-N |
| MSDS | msds/32170_1_5785_70_6.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels. 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 Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Molecular formula:C9H10BNO6 Molecular weight:239.0 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. 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 Xn HS Code 2931900090 Synthetic Route Total: 1 Page Ethyl 4-iodo-3-... CAS#:57362-77-3 4-Ethoxycarbony... CAS#:5785-70-6 Literature: Collibee, Scott E.; Yu, Jiaxin Tetrahedron Letters, 2005 , vol. 46, # 26 p. 4453 - 4455 Precursor & DownStream Precursor 1 CAS#:57362-77-3 Ethyl 4-iodo-3-... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | AB (Inbound cargo customs clearance form) |
| Transport Info | Product name: 4-ethoxycarbonyl-2-nitrobenzeneboronic acid (contains varying amounts of anhydride) |
| Related Products in Functional Building Blocks | ||
|---|---|---|
| 4'-Bromo[1,1'-biphenyl]-4-carboxylic acid | 5731-11-3 | 2A-9032109 |
| 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid | 5748-42-5 | 2A-9032138 |
| 2'-Methylbiphenyl-4-carboxylic acid | 5748-43-6 | 2A-9032139 |
| 2,5-Dimethylbenzaldehyde | 5779-94-2 | 2A-9032164 |
| 3,5-Dimethylbenzaldehyde | 5779-95-3 | 2A-9032165 |
| 2-Chlorobenzhydrazide | 5814-05-1 | 2A-9032194 |
| 2,6-Dichloro-3-nitrobenzaldehyde | 5866-97-7 | 2A-9032229 |
| 2-Benzyloxybenzaldehyde | 5896-17-3 | 2A-9032247 |
| Chloromethyltrimethoxysilane | 5926-26-1 | 2A-9032322 |
| Diethyl 2-oxopentane-1,5-dicarboxylate | 5965-53-7 | 2A-9032356 |
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