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4-(Trifluoromethyl)benzonitrile

CAS 455-18-5CF3C6H4CNChemical Synthesis

4-(Trifluoromethyl)benzonitrile (CAS: 455-18-5; Formula: CF3C6H4CN; MW: 171.12) is a valuable organic building block and nitrile compound. Characterised by its trifluoromethyl and nitrile functional groups, it serves as a key intermediate in chemical synthesis. Its properties make it suitable for research and development in various fields, particularly in the creation of more complex organic molecules for pharmaceutical and material science applications.

IUPAC
α,α,α-Trifluoro-p-tolunitrile
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4-(Trifluoromethyl)benzonitrile (CF3C6H4CN) — chemical structure, CAS 455-18-5; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC8 to C9Chemical SynthesisCyanides/NitrilesNitrogen Compounds
01 /Applications

Pharmaceutical Intermediate

Utilised in the synthesis of active pharmaceutical ingredients (APIs) and drug discovery programmes. Its unique structure allows for the introduction of trifluoromethyl and nitrile moieties into potential drug candidates.

Agrochemical Development

Serves as a precursor in the development of novel pesticides, herbicides, and other crop protection agents. The trifluoromethyl group can enhance the efficacy and metabolic stability of agrochemicals.

Materials Science

Incorporated into the synthesis of advanced materials, such as polymers or liquid crystals, where its electronic and structural properties can be advantageous.

Organic Synthesis Research

A versatile building block for academic and industrial research, enabling the construction of complex organic structures and the exploration of new chemical transformations.

02 /Properties
Molecular weight171.12
Linear formulaCF3C6H4CN
Assay99%
Boiling point80-81 °C/20 mmHg(lit.)
Density1.278 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.4583(lit.)
Melting point39-41 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Danger

Hazard statements

  • H228Flammable solid
  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H332Harmful if inhaled

Precautionary statements

  • P210Keep away from heat, sparks and open flames. No smoking
  • P280Wear protective gloves, clothing and eye/face protection
Protective equipmentdust mask type N95 (US), Eyeshields, Gloves
Flash point72 °C / 161.6 °F
Transport (UN / ADR)UN 1325 4.1 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22
Safety statements (S)36/37

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

04 /Identifiers & registry
CAS number
455-18-5
MDL number
MFCD00001826
PubChem substance
24851784
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 4-(Trifluoromethyl)benzonitrile used for?

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4-(Trifluoromethyl)benzonitrile is primarily used as a building block in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. It is also used in chemical synthesis research.

What are the CAS number and chemical formula for 4-(Trifluoromethyl)benzonitrile?

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The CAS number is 455-18-5 and the chemical formula is CF3C6H4CN.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 4-(Trifluoromethyl)benzonitrile with a minimum purity of 99%. This product is supplied for research and chemical synthesis purposes and is not represented as USP, BP, EP, or any other pharmacopoeia grade.

How should 4-(Trifluoromethyl)benzonitrile be handled?

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4-(Trifluoromethyl)benzonitrile is a flammable solid and is harmful if swallowed, in contact with skin, or if inhaled. Handle with appropriate personal protective equipment, including a dust mask (type N95 or equivalent), eyeshields, and gloves, in a well-ventilated area. Keep away from heat, sparks, and open flames.

Is 4-(Trifluoromethyl)benzonitrile packed and shipped internationally by TSS?

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Yes, Tech Serve Solutions is a global supplier and exporter of fine chemicals, including 4-(Trifluoromethyl)benzonitrile, and adheres to all relevant shipping regulations.

How can I request a sample or quote for 4-(Trifluoromethyl)benzonitrile?

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To request a sample or quote, please contact the Tech Serve Solutions sales team through our website or by calling us directly. Please specify the quantity required and your delivery location.

Need 4-(Trifluoromethyl)benzonitrile in a specific grade or volume?