CAS 455-18-5

4-(Trifluoromethyl)benzonitrile

Description:

4-(Trifluoromethyl)benzonitrile, with the CAS number 455-18-5, is an aromatic compound characterized by the presence of a trifluoromethyl group (-CF3) and a nitrile group (-C≡N) attached to a benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its relatively high stability and low reactivity due to the strong electronegative nature of the trifluoromethyl group, which can influence the electronic properties of the aromatic ring. The nitrile functional group contributes to its polar character, making it soluble in polar organic solvents. 4-(Trifluoromethyl)benzonitrile is often utilized in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Its unique properties make it a valuable compound in various chemical applications, particularly in the development of fluorinated compounds, which are of significant interest in medicinal chemistry and materials science.

Formula: C₈H₄F₃N

InChI: InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H

InChI key: InChIKey=DRNJIKRLQJRKMM-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=CC=C(C#N)C=C1

Synonyms:

• 4-(Trifluoromethy)Lbenzonitrile
• 4-(Trifluoromethyl)-Phenyl Cyanide
• 4-(Trifluoromethyl)benzonitrile
• 4-Cyano-α,α,α-trifluorotoluene
• 4-Cyanobenzotrifloride
• 4-Cyanobenzotrifluoride
• 4-Trifluoromethyl-1-cyanobenzene
• 4-Trifluoromethylbenzonitrile
• Alpha,Alpha,Alpha-Trifluoro-4-Toluonitrile
• Benzonitrile, 2,3,5-trifluoro-4-methyl-
• Benzonitrile, 4-(trifluoromethyl)-
• NSC 88340
• P-Trifluoromethylbenonitrile
• P-Trifluoromethylbenzonitrile
• Para-Trifluoromethyl-Benzonitril
• Ptf-Cn
• Trifluoro-p-tolunitrile
• p-(Trifluoromethyl)benzonitrile
• p-(Trifluoromethyl)cyanobenzene
• p-Cyanobenzotrifluoride
• p-Tolunitrile, α,α,α-trifluoro-

4-(Trifluoromethyl)benzonitrile

CAS: 455-18-5

Formula: C₈H₄F₃N

Purity: >98.0%(GC)

Color and Shape: White or Colorless to Light yellow powder to lump to clear liquid

Molecular weight: 171.12

Ref: 3B-C1005

4-(Trifluoromethyl)benzonitrile, 98%

CAS: 455-18-5

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₈H₄F₃N

Purity: 98%

Color and Shape: Crystals or powder or crystalline powder or fused solid, White

Molecular weight: 171.12

Ref: 02-A14514

4-(Trifluoromethyl)benzonitrile

CAS: 455-18-5

Formula: C₈H₄F₃N

Purity: 98%

Color and Shape: Solid

Molecular weight: 171.1193

Ref: IN-DA003NRH

4-Trifluoromethylbenzonitrile (α,α,α-Trifluoro-p-tolunitrile)

CAS: 455-18-5

Formula: C₈H₄F₃N

Molecular weight: 171.12

Ref: 7W-GK5704

4-(Trifluoromethyl)benzonitrile

CAS: 455-18-5

4-(Trifluoromethyl)benzonitrile

Formula: C₈H₄F₃N

Purity: 98%

Color and Shape: colourless to white solid

Molecular weight: 171.12g/mol

Ref: 54-PC7562

4-(Trifluoromethyl)benzonitrile

CAS: 455-18-5

Formula: C₈H₄F₃N

Purity: 98%

Color and Shape: Solid, Crystalline Powder or Lumps

Molecular weight: 171.122

Ref: 10-F001411

4-(Trifluoromethyl)benzonitrile

Controlled Product

CAS: 455-18-5

Applications 4-(Trifluoromethyl)benzonitrile is used in the synthesis of quinazolines for amidines. Also used in the synthesis of s-transferase p1-1 and cancer cell proliferation.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Lv, Y. et al.: Chem. Comm., 49, 6349 (2013); Yang, X. et al.: J. Med. Chem., 53, 1015 (2010);

Formula: C₈H₄F₃N

Color and Shape: Neat

Molecular weight: 171.12

Ref: TR-T791780

4-(Trifluoromethyl)benzonitrile

CAS: 455-18-5

4-(Trifluoromethyl)benzonitrile is a synthetic compound that belongs to the class of aryl chlorides. It has been shown to react with Grignard reagents and acrylates, yielding functionalized products. 4-(Trifluoromethyl)benzonitrile has been used as an electrospray mass spectrometry standard in structure activity relationships studies. This molecule has also been determined by X-ray crystallography to have a cyclopentane ring with an unusual bond geometry. 4-(Trifluoromethyl)benzonitrile can be synthesized in a reaction time of 3 hours at room temperature with no acute toxicities observed in rats.

Formula: C₈H₄F₃N

Purity: Min. 95%

Molecular weight: 171.12 g/mol

Ref: 3D-FT03085