4522-93-4

Basic information

• Product Name: ETHYL PENTAFLUOROBENZOATE
• Synonyms: Benzoic acid, pentafluoro-, ethyl ester;Ethyl 2,3,4,5,6-pentafluorobenzoate;PERFLUOROBENZOIC ACID ETHYL ESTER;PENTAFLUOROBENZOIC ACID ETHYL ESTER;RARECHEM AL BI 0017;LABOTEST-BB LT00454186;ETHYL PENTAFLUOROBENZOATE;ETHYL PERFLUOROBENZOATE
• CAS NO: 4522-93-4
• Molecular Formula: C₉H₅F₅O₂
• Molecular Weight: 240.13
• EINECS: 224-854-0
• Product Categories: Aromatic Esters;C8 to C9;Carbonyl Compounds;Esters
• Mol File: 4522-93-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 113 °C(lit.)
• Flash Point: 177 °F
• Appearance: colourless liquid
• Density: 1.431 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.428(lit.)
• BRN: 2054770
• CAS DataBase Reference: ETHYL PENTAFLUOROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL PENTAFLUOROBENZOATE(4522-93-4)
• EPA Substance Registry System: ETHYL PENTAFLUOROBENZOATE(4522-93-4)

Safety Data

• Hazard Codes: Xi,F
• Statements: 36/37/38
• Safety Statements: 26-36-37-23
• WGK Germany: 3
• HazardClass: FLAMMABLE
• Hazardous Substances Data: 4522-93-4(Hazardous Substances Data)

Usage

General Description

Ethyl pentafluorobenzoate is a chemical compound with the molecular formula C9H6F5O2. It is a colorless liquid that is insoluble in water but soluble in organic solvents. Ethyl pentafluorobenzoate is commonly used as an intermediate in the synthesis of pharmaceuticals and agricultural chemicals. It is also used as a building block in the production of specialty chemicals and aromatic compounds. ETHYL PENTAFLUOROBENZOATE has a strong odor and is flammable, so it must be handled and stored with caution. Overall, ethyl pentafluorobenzoate is an important chemical in the pharmaceutical and agricultural industries, with various applications in the synthesis of valuable products.

InChI:InChI=1/C9H5F5O2/c1-2-16-9(15)3-4(10)6(12)8(14)7(13)5(3)11/h2H2,1H3

Upstream product

• 64-17-5 ethanol 
• 773-82-0 Pentafluorobenzonitrile 
• 344-04-7 bromopentafluorobenzene 
• 541-41-3 chloroformic acid ethyl ester 
• 2251-50-5 pentafluorobenzoylchloride 
• 602-94-8 Pentafluorobenzoic acid 

Downstream Products

• 36629-42-2 methyl pentafluorobenzoate 
• 201157-01-9 1,2,3,4,5-Pentafluoro-6-trimethoxymethyl-benzene 

Relevant articles and documents

Substituted 4-(1H-1,2,3-triazol-1-yl)-tetrafluorobenzoates: Selective synthesis and structure

Regioselective, simple and fast synthesis of a series of [2 + 3]-cycloaddition products, 2-11, 4-(4-RC2HN3)C6F4CO2Et (2: R = Ph; 3: R = CMe2OH; 4: R = CH2OH; 5: R = CO2Et; 6: R = n-C5H11; 7: R = CH2O-o-C6H4CHO; 8: R = CH2O-p-C6H4NHBoc; 9: R = CH2O-p-C6H4CH2OH; 10: R = CH2O2CC6F5; 11: R = p-C6H4Bu-t), in reaction between ethyl 4-azido-2,3,5,6-tetrafluorobenzoate, 1, and a number of substituted alkynes was elaborated under conditions of copper-catalyzed click chemistry reaction. The optimized conditions include application of CuBr and Et3N in dichloromethane. The structure of compounds 2-11 was investigated in solution by 1D and 2D NMR and IR spectroscopy. The molecular structure of 2 in solid state was established by X-ray analysis.

Pyridonecarboxylic acids as antibacterial agents. VIII. Synthesis and structure-activity relationship of 7-(1-aminocyclopropyl)-4-oxo-1,8-naphthyridine-3-carboxylic acids and 7-(1-aminocyclopropyl)-4-oxoquinoline-3-carboxylic acids

4-Oxo-1,8-naphthyridine- and 4-oxoquinoline-3-carboxylic acids (2a, b and 3a-l) possessing a 1-aminocyclopropyl group at the 7-position have been synthesized and evaluated for in vitro antibacterial activities. The three quinolones (3d, h, i) exhibited potent antibacterial activities against both gram-positive and gram-negative bacteria, which are comparable to those of ciprofloxacin (CPFX) and ofloxacin (OFLX). Among the three compounds, the best pharmacological and pharmacokinetic profile was obtained with 3i, an OFLX analogue, which was considerably less toxic than three reference quinolones (1, CPFX, and OFLX).