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2,3,4,5,6-Pentafluorophenylacetonitrile

CAS 653-30-5C6F5CH2CNChemical Synthesis

2,3,4,5,6-Pentafluorophenylacetonitrile (CAS: 653-30-5), with the molecular formula C6F5CH2CN and a molecular weight of 207.10, is a key organic building block. This fluorinated nitrile is valuable in organic synthesis, particularly for introducing the pentafluorobenzyl moiety into more complex molecules. Its properties make it suitable for research and development in pharmaceuticals, agrochemicals, and materials science, serving as a versatile intermediate for chemical innovation.

Synonyms
5,6-PentafluorophenylacetonitrileC6F5CH2CN
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2,3,4,5,6-Pentafluorophenylacetonitrile (C6F5CH2CN) — chemical structure, CAS 653-30-5; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC7-C8C8 to C9Chemical SynthesisCyanides/NitrilesFluorinated Building BlocksNitrogen CompoundsOrganic Building Blocks
01 /Applications

Pharmaceutical Intermediate

Serves as a crucial building block in the synthesis of novel pharmaceutical compounds. Its pentafluorophenyl group can impart unique pharmacokinetic or pharmacodynamic properties to drug candidates.

Agrochemical Synthesis

Utilized in the development of new pesticides, herbicides, and fungicides. The incorporation of fluorinated aromatic rings can enhance the efficacy and stability of agrochemical agents.

Materials Science

Acts as a precursor for the synthesis of advanced materials, including specialty polymers and liquid crystals. The electron-withdrawing nature of the pentafluorophenyl group can influence material properties.

Organic Synthesis Reagent

A versatile reagent for various organic transformations, enabling the introduction of the C6F5CH2- group. It is employed in research laboratories for creating complex organic molecules.

02 /Properties
Molecular weight207.10
Linear formulaC6F5CH2CN
Assay99%
Boiling point107-111 °C/17 mmHg(lit.)
Density1.61 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.439(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • 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 point113 °C / 235.4 °F
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38
Safety statements (S)26-37/39

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

04 /Identifiers & registry
CAS number
653-30-5
MDL number
MFCD00013814
PubChem substance
24854916
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 2,3,4,5,6-Pentafluorophenylacetonitrile used for?

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2,3,4,5,6-Pentafluorophenylacetonitrile is primarily used as a building block and intermediate in organic synthesis, particularly for the development of pharmaceuticals, agrochemicals, and advanced materials.

What are the CAS number and formula for 2,3,4,5,6-Pentafluorophenylacetonitrile?

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The CAS number for 2,3,4,5,6-Pentafluorophenylacetonitrile is 653-30-5, and its linear formula is C6F5CH2CN.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 2,3,4,5,6-Pentafluorophenylacetonitrile with a minimum assay of 99%. This product is not supplied as USP, BP, or EP grade.

How should 2,3,4,5,6-Pentafluorophenylacetonitrile be handled?

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Handle with appropriate personal protective equipment, including eyeshields, gloves, and a respirator. Avoid breathing vapours or mist. Refer to the Safety Data Sheet for detailed handling and safety information, as it is classified as harmful if swallowed, in contact with skin, or if inhaled, and causes skin and eye irritation.

Is 2,3,4,5,6-Pentafluorophenylacetonitrile a controlled substance?

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The provided data does not indicate that 2,3,4,5,6-Pentafluorophenylacetonitrile is a controlled substance.

How is 2,3,4,5,6-Pentafluorophenylacetonitrile packed and shipped?

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Tech Serve Solutions exports chemicals globally, ensuring appropriate packaging and adherence to international shipping regulations for hazardous materials.

How can I request a quote or sample?

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Please contact our sales team through the website to request a quote or a sample of 2,3,4,5,6-Pentafluorophenylacetonitrile.

Need 2,3,4,5,6-Pentafluorophenylacetonitrile in a specific grade or volume?