CAS Number603122-84-5
Synonyms[2-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid; (2-fluoro-4-methoxycarbonylphenyl)boronic acid; Benzoic acid, 4-borono-3-fluoro-, methyl ester; 2-Fluoro-4-methoxycarbonylphenylboronic acid
Molecular FormulaC8H8BFO4
Molecular Weight197.956
Purity98.00%
Density1.3±0.1 g/cm3
Boiling Point355.1±52.0 °C at 760 mmHg
Melting Point173-175ºC
AppearanceSolid;White to Almost white powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 603122-84-5 |
| Catalog No. | 2A-9057677 |
| Chinese Name | 2-氟-4-(甲氧基羰基)苯硼酸 |
| Synonyms | [2-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid; (2-fluoro-4-methoxycarbonylphenyl)boronic acid; Benzoic acid, 4-borono-3-fluoro-, methyl ester; 2-Fluoro-4-methoxycarbonylphenylboronic acid |
| Molecular Formula | C8H8BFO4 |
| Molecular Weight | 197.956 |
| Purity | 98.00 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 355.1±52.0 °C at 760 mmHg |
| Melting Point | 173-175ºC |
| Appearance | Solid;White to Almost white powder to crystal |
| Storage Condition | 2-8°C |
| HTC | 2931900090 |
| SMILES | COC(=O)c1ccc(B(O)O)c(F)c1 |
| InChI Key | BKWRLCIYMAYFPA-UHFFFAOYSA-N |
| MSDS | msds/57677_1_603122_84_5.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:C8H8BFO4 Molecular weight:198.0 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 Methyl 4-bromo-... CAS#:849758-12-9 Bis(pinacolato)... CAS#:73183-34-3 2-Fluoro-4-meth... CAS#:603122-84-5 2,5-Dibromofluo... CAS#:1435-52-5 Dimethyl Carbonate CAS#:616-38-6 2-Fluoro-4-meth... CAS#:603122-84-5 Literature: Kurach, Pawel; Lulinski, Sergiusz; Serwatowski, Janusz European Journal of Organic Chemistry, 2008 , # 18 p. 3171 - 3178 2-Fluoro-4-(met... CAS#:603122-79-8 2-Fluoro-4-meth... CAS#:603122-84-5 Literature: Journal of Medicinal Chemistry, , vol. 51, # 6 p. 1925 - 1944 Precursor & DownStream Precursor 5 CAS#:849758-12-9 Methyl 4-bromo-... CAS#:73183-34-3 Bis(pinacolato)... CAS#:1435-52-5 2,5-Dibromofluo... CAS#:616-38-6 Dimethyl Carbonate DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | AB (Inbound cargo customs clearance form) |
| Transport Info | Product name: 2-Fluoro-4-(methoxycarbonyl)phenylboronic acid (contains varying amounts of anhydride) |
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