1121583-51-4 | 3,4-Difluoro-5-nitrobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$113.00	$79.00
250mg	95%	in stock	$226.00	$158.00
1g	95%	in stock	$636.00	$445.00
5g	95%	in stock	$1,803.00	$1,262.00

Description

• Catalog Number: AE12697
• Chemical Name: 3,4-Difluoro-5-nitrobenzoic acid
• CAS Number: 1121583-51-4
• Molecular Formula: C7H3F2NO4
• Molecular Weight: 203.0998
• MDL Number: MFCD15144672
• SMILES: [O-][N+](=O)c1cc(cc(c1F)F)C(=O)O

Computed Properties

• Complexity: 255
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.5

Upstream Synthesis Route

The 3,4-Difluoro-5-nitrobenzoic acid is a valuable compound widely used in chemical synthesis due to its unique properties and versatile reactivity. This compound serves as a key building block in the production of various pharmaceuticals, agrochemicals, and functional materials. In organic synthesis, 3,4-Difluoro-5-nitrobenzoic acid is frequently employed as a starting material for the preparation of more complex molecules through various transformations including esterification, amidation, and reduction reactions. Additionally, it can act as a precursor for the synthesis of fluorinated compounds, which are important in medicinal chemistry and materials science. With its distinct fluorine and nitro functionalities, this compound offers synthetic chemists a powerful tool to introduce diversity and functionality into their target molecules efficiently and selectively.