| Chemical & Physical Properties | |
|---|---|
| CAS Number | 871332-97-7 |
| Catalog No. | 2A-9071301 |
| Chinese Name | 3-甲氧基-5-三氟甲基苯硼酸 |
| Synonyms | [3-Methoxy-5-(trifluoromethyl)phenyl]boronic acid |
| Molecular Formula | C8H8BF3O3 |
| Molecular Weight | 219.96 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 318.3±52.0 °C at 760 mmHg |
| Melting Point | 159-162ºC |
| Appearance | Solid;White to Almost white powder to crystal |
| Storage Condition | 2-8°C, inert gas |
| HTC | 2931900090 |
| PubChem ID | 88819296 |
| SMILES | COc1cc(B(O)O)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C8H8BF3O3/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3 |
| InChI Key | GKEMDZIGTOAZRK-UHFFFAOYSA-N |
| 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:C8H8BF3O3 Molecular weight:220.0 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride. 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 2931900090 Synthetic Route Total: 1 Page 2-(3-METHOXY-5-... CAS#:479411-93-3 [3-Methoxy-5-(t... CAS#:871332-97-7 Literature: Organic Letters, , vol. 9, # 5 p. 757 - 760 3-(Trifluoromet... CAS#:454-90-0 [3-Methoxy-5-(t... CAS#:871332-97-7 Literature: Organic Letters, , vol. 9, # 5 p. 757 - 760 Precursor & DownStream Precursor 2 CAS#:479411-93-3 2-(3-METHOXY-5-... CAS#:454-90-0 3-(Trifluoromet... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | AB (Inbound cargo customs clearance form) |
| Transport Info | Product name: 3-methoxy-5-trifluoromethylbenzeneboronic acid (contains an indefinite amount of anhydride) |
| Related Products in Functional Building Blocks | ||
|---|---|---|
| 3-Bromo-2-fluorophenylboronicacid | 352535-97-8 | 2A-9071294 |
| 3-Bromo-2-fluoro-5-methylphenylboronicacid | 957066-00-1 | 2A-9071295 |
| 2-aminopyridin-4-ylboronicacid | 903513-62-2 | 2A-9071297 |
| 3-Bromo-6-fluoro-2-methoxyphenylboronicacid | 957120-30-8 | 2A-9071298 |
| 5-fluoropyridin-2-ylboronicacid | 946002-10-4 | 2A-9071300 |
| 3-Ethoxycarbonyl-5-nitrophenylboronicacid | 850568-37-5 | 2A-9071304 |
| 3-Ethoxy-2-fluorophenylboronicacid | 855230-61-4 | 2A-9071307 |
| 3-Ethoxy-4-fluorophenylboronicacid | 900174-65-4 | 2A-9071308 |
| 3-Ethoxy-5-(trifluoromethyl)phenylboronicacid | 871332-96-6 | 2A-9071310 |
| 6-aminopyridin-3-ylboronicacid | 851524-96-4 | 2A-9071311 |
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