| Chemical & Physical Properties | |
|---|---|
| CAS Number | 765916-91-4 |
| Catalog No. | 2A-0122644 |
| Chinese Name | 2-氰基-3-氟苯硼酸频那醇酯 |
| Synonyms | B-4034; 2-CYANO-3-FLUOROPHENYLBORONIC ACID PINACOL ESTER; 6-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile |
| Molecular Formula | C13H15BFNO2 |
| Molecular Weight | 247.08 |
| Purity | 96+ |
| Storage Condition | 2-8°C, inert gas |
| EINECS | 0 |
| HTC | 2934999090 |
| UN(IATA) | 0 |
| PubChem ID | 38409629 |
| SMILES | CC1(C)OB(c2cccc(F)c2C#N)OC1(C)C |
| InChI | InChI=1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(15)9(10)8-16/h5-7H,1-4H3 |
| InChI Key | TXGKJULMHJEZTA-UHFFFAOYSA-N |
| 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: C13H15BFNO2 Molecular weight: 247.1 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 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 HS Code 2934999090 Synthetic Route Total: 1 Page 2-Bromo-6-fluor... CAS#:79544-27-7 Bis(pinacolato)... CAS#:73183-34-3 2-Cyano-3-fluor... CAS#:765916-91-4 Literature: Nasveschuk, Christopher G.; Gagnon, Alexandre; Garapaty-Rao, Shivani; Balasubramanian, Srividya; Campbell, Robert; Lee, Christina; Zhao, Feng; Bergeron, Louise; Cummings, Richard; Trojer, Patrick; Audia, James E.; Albrecht, Brian K.; Harmange, Jean-Christophe P. ACS Medicinal Chemistry Letters, 2014 , vol. 5, # 4 p. 378 - 383 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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