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2-Fluoro-6-(trifluoromethyl)benzonitrile

CAS 133116-83-3CF3C6H3(F)CNChemical Synthesis

2-Fluoro-6-(trifluoromethyl)benzonitrile (CAS: 133116-83-3), with the molecular formula C<sub>8</sub>H3F4N and a molecular weight of 189.11 g/mol, is a fluorinated organic compound. It serves as a valuable building block in organic synthesis, particularly for introducing fluorinated moieties into complex molecules. Its structure, featuring both a nitrile and a trifluoromethyl group on a fluorinated benzene ring, makes it a versatile intermediate in the development of pharmaceuticals and agrochemicals.

IUPAC
α,α,α,6-Tetrafluoro-o-tolunitrile
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2-Fluoro-6-(trifluoromethyl)benzonitrile (CF3C6H3(F)CN) — chemical structure, CAS 133116-83-3; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC8 to C9Chemical SynthesisCyanides/NitrilesFluorinated Building BlocksNitrogen CompoundsOrganic Building BlocksTrifluoromethyl More...
01 /Applications

Pharmaceutical Intermediate

This compound acts as a key intermediate in the synthesis of various pharmaceutical agents. The presence of fluorine and the trifluoromethyl group can enhance metabolic stability and bioavailability of drug candidates.

Agrochemical Synthesis

It is utilised in the development of novel agrochemicals, such as pesticides and herbicides. The trifluoromethyl group often imparts lipophilicity and bioactivity to these agricultural compounds.

Organic Synthesis Building Block

As a functionalised benzonitrile, it offers reactive sites for various chemical transformations, enabling the construction of more complex organic structures for research and development purposes.

Materials Science

Fluorinated organic molecules can find applications in materials science, contributing unique electronic or physical properties to polymers or advanced materials.

02 /Properties
Molecular weight189.11
Linear formulaCF3C6H3(F)CN
Assay97%
Density1.373 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.452(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 point99 °C / 210.2 °F
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
133116-83-3
MDL number
MFCD00061153
PubChem substance
24860329
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-Fluoro-6-(trifluoromethyl)benzonitrile used for?

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2-Fluoro-6-(trifluoromethyl)benzonitrile is primarily used as a building block in organic synthesis, especially for creating pharmaceutical intermediates and agrochemicals. It is also employed in materials science research.

What is the CAS number and molecular formula for this compound?

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The CAS number is 133116-83-3 and the molecular formula is C8H3F4N.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 2-Fluoro-6-(trifluoromethyl)benzonitrile with a minimum assay of 97%. We do not represent this product as USP, BP, or EP grade.

How should 2-Fluoro-6-(trifluoromethyl)benzonitrile be handled safely?

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This compound is classified as harmful if swallowed, in contact with skin, or if inhaled, and causes skin, eye, and respiratory irritation. It requires handling with appropriate personal protective equipment, including eyeshields, gloves, and respiratory protection, in a well-ventilated area.

Is this product available for international export?

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Yes, Tech Serve Solutions specialises in the global supply and export of fine chemicals, pharmaceutical intermediates, and laboratory reagents.

How can I request a quote or sample?

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To request a quote or sample of 2-Fluoro-6-(trifluoromethyl)benzonitrile, please contact our sales team through the website or by phone.

Need 2-Fluoro-6-(trifluoromethyl)benzonitrile in a specific grade or volume?