4-isocyanato-2-(trifluoromethyl)benzonitrile
$450.00
CAS No.: 143782-18-7
Catalog No.: 194262
Purity: 95%
MF: C9H3F3N2O
MW: 212.13
Storage: 2-8 degree Celsius
SMILES: N(=C=O)C1=CC(=C(C#N)C=C1)C(F)(F)F
Catalog No.: 194262
Purity: 95%
MF: C9H3F3N2O
MW: 212.13
Storage: 2-8 degree Celsius
SMILES: N(=C=O)C1=CC(=C(C#N)C=C1)C(F)(F)F
4-isocyanato-2-(trifluoromethyl)benzonitrile; CAS No.: 143782-18-7; 4-isocyanato-2-(trifluoromethyl)benzonitrile. PROPERTIES: 4-isocyanato-2-(trifluoromethyl)benzonitrile is a crystalline solid. Its molecular formula is C9H4F3N2O, and the molecular weight is approximately 211.13 g/mol. The compound has a melting point of approximately 70-72 C. It is moderately soluble in common organic solvents such as dichloromethane and ethyl acetate, but is poorly soluble in water. For proper storage, it should be kept in a sealed container at room temperature, away from heat and direct sunlight. As a compound containing an isocyanate group, a cyano group, and a trifluoromethyl group, it may exhibit certain reactivity and stability. When handling it, protective gloves and eye protection should be worn. In case of accidental contact with skin or eyes, immediate rinsing with water is necessary. APPLICATIONS: In organic synthesis, 4-isocyanato-2-(trifluoromethyl)benzonitrile serves as a specialized intermediate. The isocyanate group can undergo various reactions such as hydrolysis to form carbamic acid derivatives. The cyano group can be converted to other functional groups such as carboxylic acid. In the pharmaceutical industry, derivatives of this compound can be explored as potential drug candidates. For instance, in the development of certain anticancer drugs, the structure of 4-isocyanato-2-(trifluoromethyl)benzonitrile can be modified to enhance the drug's ability to target cancer cells and improve its therapeutic index (as described in medicinal chemistry research articles). Additionally, in the field of materials science, it can be incorporated into the synthesis of functional materials such as liquid crystals or organic semiconductors, where its structure can influence the material's electronic and optical properties (as mentioned in materials chemistry research papers).
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