1110709-70-0 | 3-Iodo-4-(trifluoromethoxy)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$48.00	$33.00
250mg	95%	in stock	$56.00	$40.00
1g	95%	in stock	$217.00	$152.00

Description

• Catalog Number: AE08883
• Chemical Name: 3-Iodo-4-(trifluoromethoxy)benzoic acid
• CAS Number: 1110709-70-0
• Molecular Formula: C8H4F3IO3
• Molecular Weight: 332.0152
• MDL Number: MFCD08459287
• SMILES: Ic1cc(ccc1OC(F)(F)F)C(=O)O

Computed Properties

• Complexity: 244
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3.3

Upstream Synthesis Route

The application of 3-Iodo-4-(trifluoromethoxy)benzoic acid in chemical synthesis lies within its versatility and utility as a key building block in the creation of various organic compounds. With its unique structure combining an iodo group and a trifluoromethoxy group on a benzoic acid backbone, this compound serves as a valuable intermediate for the synthesis of pharmaceuticals, agrochemicals, and materials science products. In organic reactions, the iodo group can undergo substitution reactions to introduce different functional groups, while the trifluoromethoxy group can enhance the lipophilicity and biological activity of the resulting compounds. Additionally, the benzoic acid moiety provides a platform for further derivatization, allowing for the fine-tuning of chemical properties and target specificity in drug discovery and materials research. Overall, 3-Iodo-4-(trifluoromethoxy)benzoic acid plays a crucial role in enabling the efficient and strategic synthesis of complex molecules with diverse applications in the field of chemistry.