4-(Trifluoromethyl)benzonitrile

4-(Trifluoromethyl)benzonitrile is an aromatic nitrile featuring a para-trifluoromethyl substituent on the benzene ring. The electron-withdrawing CF3 group enhances the reactivity of the nitrile towards nucleophilic additions and reductions in controlled synthetic pathways.

Basic Information

CAS No.	455-18-5
EC No.	207-238-2
Linear Formula	C8H4F3N
Molecular Weight	171.12
Appearance	Colorless to white crystals or crystalline powder
Melting Point	37-41 °C (lit.)
Boiling point	83 °C/12 mmHg (lit.)
Density	1.27 g/cm³ (Predicted)
Solubility	Insoluble in water; soluble in organic solvents like ethanol, acetone (typical reference)
Storage Conditions	Keep in a tightly closed container in a cool, dry place, room temperature
Chemical Structure

Key Applications

• Pharmaceutical intermediate: A critical precursor in the synthesis of fluvoxamine, a selective serotonin reuptake inhibitor used in antidepressant therapy, and a relevant building block within Aripiprazole and Fluvoxamine intermediates for CNS-related pharmaceutical development.

• API intermediate: Employed in the preparation of active pharmaceutical ingredients incorporating trifluoromethylated aromatic nitriles, making it valuable in fluorinated pharmaceutical intermediates and related medicinal chemistry programs.

• Aromatic compound synthesis: Facilitates construction of fluorinated benzene derivatives through nitrile transformations in pharmaceutical and fine chemical synthesis.

• Laboratory research: Utilized in medicinal chemistry for exploring trifluoromethyl-substituted analogs and fluorinated small-molecule design.

• Process development: Applied in route optimization and scale-up for efficient fine chemical manufacturing and pharmaceutical intermediates for API synthesis.

• Consistent product quality: High purity and batch uniformity verified through standard QC methods for reliable performance in synthesis.

• Global supply reliability: Stable export capabilities with established logistics for timely delivery across lab to pilot scales.

• SDS and COA support: Full documentation including safety data sheets and certificates of analysis provided upon request.

• Packaging and technical service: Flexible options such as 1kg/5kg/25kg fiber drums with PE liners combined with professional technical assistance.