116529-62-5 | 4-iodo-2-nitrobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$36.00	$26.00
5g	98%	in stock	$506.00	$354.00
25g	98%	in stock	$1,381.00	$967.00

Description

• Catalog Number: AA16270
• Chemical Name: 4-iodo-2-nitrobenzoic acid
• CAS Number: 116529-62-5
• Molecular Formula: C7H4INO4
• Molecular Weight: 293.0154
• MDL Number: MFCD09909618
• SMILES: Ic1ccc(c(c1)[N+](=O)[O-])C(=O)O

Computed Properties

• Complexity: 227
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.1

Upstream Synthesis Route

4-Iodo-2-nitrobenzoic acid is a valuable intermediate in chemical synthesis due to its versatile reactivity and structural properties. This compound serves as a key building block in the development of various pharmaceuticals, agrochemicals, and materials.One of the main applications of 4-Iodo-2-nitrobenzoic acid is its role as a precursor in the synthesis of biologically active molecules. By selectively modifying the functional groups on this compound, chemists can easily access a wide range of structurally diverse compounds with different pharmacological properties.Additionally, 4-Iodo-2-nitrobenzoic acid can be used in the synthesis of specialty chemicals and materials. Its unique iodo and nitro functionalities make it a valuable starting material for the production of dyes, pigments, and other fine chemicals.Furthermore, this compound can be employed in organometallic chemistry as a ligand or a directing group in metal-catalyzed reactions. The iodo group can facilitate cross-coupling reactions, while the nitro group can serve as a directing group for regioselective functionalization.Overall, the versatility and reactivity of 4-Iodo-2-nitrobenzoic acid make it a valuable tool in chemical synthesis, enabling the creation of complex molecules with diverse applications in various industries.