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Ethyl (pentafluorobenzoyl)acetate

CAS 3516-87-8C6F5COCH2CO2C2H5Chemical Synthesis

Ethyl (pentafluorobenzoyl)acetate (CAS: 3516-87-8) is a fluorinated organic compound with the linear formula C6F5COCH2CO2C2H5 and a molecular weight of 282.16 g/mol. This chemical serves as a valuable building block in organic synthesis, particularly in the creation of complex molecules. Its structure, featuring a pentafluorobenzoyl group and an ethyl acetate moiety, lends itself to diverse chemical transformations. It is supplied by TSS for research and development purposes.

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Ethyl (pentafluorobenzoyl)acetate (C6F5COCH2CO2C2H5) — chemical structure, CAS 3516-87-8; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC10 to C11Carbonyl CompoundsChemical SynthesisEsters
01 /Applications

Organic Synthesis Intermediate

As a functionalised building block, Ethyl (pentafluorobenzoyl)acetate is employed in the synthesis of more complex organic molecules. Its reactive carbonyl and ester groups, coupled with the electron-withdrawing pentafluorophenyl ring, enable a range of chemical transformations.

Fluorinated Compound Precursor

The presence of the pentafluorobenzoyl moiety makes this compound a useful precursor for introducing fluorinated aromatic systems into target molecules. These are often of interest in medicinal chemistry and materials science.

Research and Development

Utilised in laboratory settings for exploratory synthesis and method development. Its specific structure allows chemists to investigate novel reaction pathways and create diverse chemical libraries.

02 /Properties
Molecular weight282.16
Linear formulaC6F5COCH2CO2C2H5
Assay98%
Boiling point103-104 °C/4 mmHg(lit.)
Density1.43 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.464(lit.)
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H226Flammable liquid and vapour
  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H332Harmful if inhaled
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point41 °C / 105.8 °F
Transport (UN / ADR)UN 3272 3 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38
Safety statements (S)26-36

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
3516-87-8
MDL number
MFCD00192163
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is Ethyl (pentafluorobenzoyl)acetate used for?

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Ethyl (pentafluorobenzoyl)acetate is primarily used as a building block in organic synthesis and as a precursor for introducing fluorinated aromatic systems into molecules, particularly in research and development settings.

What is the CAS number and formula for Ethyl (pentafluorobenzoyl)acetate?

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The CAS number is 3516-87-8 and the linear formula is C6F5COCH2CO2C2H5.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Ethyl (pentafluorobenzoyl)acetate with an assay of 98%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade.

How should Ethyl (pentafluorobenzoyl)acetate be handled?

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Ethyl (pentafluorobenzoyl)acetate is a flammable liquid and vapour (H226) and is harmful if swallowed, in contact with skin, or if inhaled (H302, H312, H332). It can cause skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335). Appropriate personal protective equipment, including eyeshields, gloves, and suitable respiratory protection, should be used. Handle in a well-ventilated area away from ignition sources.

How is this chemical packed and exported?

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Ethyl (pentafluorobenzoyl)acetate is packed according to relevant shipping regulations for flammable liquids. TSS is experienced in exporting chemicals globally, adhering to international transport standards.

How can I request a quote or sample?

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To request a quote or sample of Ethyl (pentafluorobenzoyl)acetate, please contact our sales team via the website or direct email, providing your contact details and the quantity required.

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