CAS Number603122-52-7
Synonyms2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester; BENZOIC ACID,2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-,METHYL ESTER; 3-Fluoro-4-(Methoxycarbonyl)benzeneboronic acid pinacol ester
Molecular FormulaC14H18BFO4
Molecular Weight280.1
Purity96+%
Appearancesolid
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 603122-52-7 |
| Catalog No. | 2A-0157739 |
| Chinese Name | 3-氟-4-甲氧基羰基苯硼酸频那醇酯 |
| Synonyms | 2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester; BENZOIC ACID,2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-,METHYL ESTER; 3-Fluoro-4-(Methoxycarbonyl)benzeneboronic acid pinacol ester |
| Molecular Formula | C14H18BFO4 |
| Molecular Weight | 280.1 |
| Purity | 96+ |
| Appearance | solid |
| Storage Condition | Room temperature, sealed, dry |
| EINECS | 0 |
| HTC | 2934999090 |
| UN(IATA) | 0 |
| PubChem ID | 38273001 |
| SMILES | COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F |
| InChI | InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-10(11(16)8-9)12(17)18-5/h6-8H,1-5H3 |
| InChI Key | KWUUXUUPAMIRBW-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: C14H18BFO4 Molecular weight: 280.1 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 Xn HS Code 2934999090 Synthetic Route Total: 1 Page Bis(pinacolato)... CAS#:73183-34-3 Methyl 4-bromo-... CAS#:179232-29-2 3-Fluoro-4-(Met... CAS#:603122-52-7 Literature: Imanishi, Masashi; Tomishima, Yasuyo; Itou, Shinji; Hamashima, Hitoshi; Nakajima, Yutaka; Washizuka, Kenichi; Sakurai, Minoru; Matsui, Shigeo; Imamura, Emiko; Ueshima, Koji; Yamamoto, Takao; Yamamoto, Nobuhiro; Ishikawa, Hirofumi; Nakano, Keiko; Unami, Naoko; Hamada, Kaori; Matsumura, Yasuhiro; Takamura, Fujiko; Hattori, Kouji Journal of Medicinal Chemistry, 2008 , vol. 51, # 6 p. 1925 - 1944 4-Bromo-2-fluor... CAS#:112704-79-7 Bis(pinacolato)... CAS#:73183-34-3 3-Fluoro-4-(Met... CAS#:603122-52-7 Precursor & DownStream Precursor 3 CAS#:73183-34-3 Bis(pinacolato)... CAS#:179232-29-2 Methyl 4-bromo-... CAS#:112704-79-7 4-Bromo-2-fluor... DownStream 1 CAS#:505083-04-5 [3-Fluoro-4-(me... |
| 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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