1214360-38-9 | 3-Nitro-4-(trifluoromethoxy)benzonitrile

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$6.00	$5.00
1g	98%	in stock	$12.00	$9.00

Description

• Catalog Number: AA52782
• Chemical Name: 3-Nitro-4-(trifluoromethoxy)benzonitrile
• CAS Number: 1214360-38-9
• Molecular Formula: C8H3F3N2O3
• Molecular Weight: 232.1162
• MDL Number: MFCD09745165
• SMILES: N#Cc1ccc(c(c1)[N+](=O)[O-])OC(F)(F)F

Computed Properties

• Complexity: 317
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• XLogP3: 2.7

Upstream Synthesis Route

3-Nitro-4-(trifluoromethoxy)benzonitrile is a versatile compound that finds valuable application in chemical synthesis. This compound serves as a key building block for the production of various pharmaceuticals, agrochemicals, and specialty chemicals. The trifluoromethoxy group, combined with the nitro and cyano functionalities, imparts unique reactivity to this compound, making it a valuable intermediate in organic synthesis.One of the major applications of 3-Nitro-4-(trifluoromethoxy)benzonitrile is in the synthesis of pharmaceutical compounds. The presence of the nitro group allows for facile functional group interconversions, enabling the introduction of diverse chemical functionalities to the molecule. Additionally, the trifluoromethoxy group is known to enhance the biological activity of pharmaceuticals by improving their pharmacokinetic properties.In agrochemical synthesis, 3-Nitro-4-(trifluoromethoxy)benzonitrile serves as a precursor for the preparation of crop protection agents and pest control chemicals. The unique electron-withdrawing nature of the trifluoromethoxy group enhances the activity of the final agrochemical products, making them more effective in combating harmful pests and diseases.Furthermore, this compound is utilized in the production of specialty chemicals such as dyes, pigments, and material science intermediates. Its versatile reactivity and ability to undergo various chemical transformations make it a valuable component in the synthesis of a wide range of high-value specialty chemicals.Overall, 3-Nitro-4-(trifluoromethoxy)benzonitrile plays a crucial role in chemical synthesis by serving as a versatile intermediate for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structural features make it a valuable building block for the creation of diverse and complex organic molecules with applications across various industries.