1003708-58-4 | 2-Nitro-5-(trifluoromethoxy)benzonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$139.00	$97.00
5g	95%	in stock	$387.00	$271.00
10g	95%	in stock	$667.00	$467.00
25g	95%	in stock	$1,319.00	$923.00

Description

• Catalog Number: AA02068
• Chemical Name: 2-Nitro-5-(trifluoromethoxy)benzonitrile
• CAS Number: 1003708-58-4
• Molecular Formula: C8H3F3N2O3
• Molecular Weight: 232.1162
• MDL Number: MFCD09835205
• SMILES: N#Cc1cc(ccc1[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

The compound 2-Nitro-5-(trifluoromethoxy)benzonitrile serves as a versatile building block in chemical synthesis, particularly in the field of organic chemistry. Due to its unique structure and properties, this compound is commonly employed as a key intermediate in the production of various pharmaceuticals, agrochemicals, and advanced materials.In chemical synthesis, 2-Nitro-5-(trifluoromethoxy)benzonitrile can be utilized as a valuable starting material for the preparation of diverse organic molecules through various synthetic routes. Its nitro and nitrile functional groups offer numerous opportunities for synthetic manipulation, allowing for the introduction of different substituents or modifications to the molecular structure.Furthermore, the trifluoromethoxy group in this compound provides enhanced lipophilicity and electron-withdrawing properties, which can lead to improved pharmacokinetic profiles and enhanced biological activities in drug discovery and development. This makes 2-Nitro-5-(trifluoromethoxy)benzonitrile a valuable tool for the synthesis of biologically active compounds with potential therapeutic applications.Overall, the strategic incorporation of 2-Nitro-5-(trifluoromethoxy)benzonitrile in chemical synthesis enables the efficient construction of complex molecules with desirable properties, making it a crucial component in the development of novel substances in various scientific fields.