CAS 2179-45-5

4-Trichloromethylbenzonitrile

Description:

4-Trichloromethylbenzonitrile, with the CAS number 2179-45-5, is an organic compound characterized by its aromatic structure, featuring a benzene ring substituted with a trichloromethyl group and a nitrile group. This compound typically appears as a solid at room temperature and is known for its distinctive chemical properties, including its reactivity due to the presence of both the nitrile and trichloromethyl functional groups. The trichloromethyl group contributes to its potential as a reactive intermediate in various chemical reactions, while the nitrile group can participate in nucleophilic addition reactions. 4-Trichloromethylbenzonitrile is often utilized in organic synthesis and may serve as a building block for more complex molecules. It is important to handle this compound with care, as it may pose health risks, including toxicity and environmental hazards. Proper safety protocols should be followed when working with this substance in laboratory settings.

Formula: C₈H₄Cl₃N

InChI: InChI=1/C8H4Cl3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H

SMILES: c1cc(ccc1C#N)C(Cl)(Cl)Cl

Synonyms:

• Betrixaban 4-Trichloromethylbenzonitrile Impurity
• p-cyanobenzo trichloride
• 4-TRICHLOROMETHYLBENZONITRILE
• Tranexamic Acid Impurity 10
• 4-Cyano-1-trichloromethylbenzene
• 4-(trichloromethyl)benzenecarbonitrile
• Benzonitrile, 4-(trichloromethyl)-
• Tranexamic Impurity 8

4-(Trichloromethyl)benzonitrile

Controlled Product

CAS: 2179-45-5

Applications 4-(Trichloromethyl)benzonitrile, is a building block used in various chemical syntheis such as in preparation of Betrixaban (B329500), a novel anticoagulant, and an oral direct inhibitor of factor Xa (FXa) for use in the prevention of venous thromboembolism (VTE).
References Turpie, A.G.G. et al.: Thromb. Haemost., 101, 68 (2009); Gomez-Outes, A. et al.: Curr. Vasc. Pharmacol., 7, 309 (2009);

Formula: C₈H₄Cl₃N

Color and Shape: Neat

Molecular weight: 220.483

Ref: TR-T294865

4-(Trichloromethyl)benzonitrile

CAS: 2179-45-5

4-(Trichloromethyl)benzonitrile is an organochlorine compound that can be chlorinating, chlorinating and chlorinating. It can also form mixtures with chlorine, chloride and methyl groups. 4-(Trichloromethyl)benzonitrile is a colorless liquid with a strong odor of chlorine.

Formula: C₈H₄Cl₃N

Purity: Min. 95%

Molecular weight: 220.5 g/mol

Ref: 3D-CAA17945