103877-80-1 | 2,5-Difluoro-4-methylbenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$19.00	$13.00
5g	95%	in stock	$41.00	$29.00
10g	95%	in stock	$61.00	$43.00
25g	95%	in stock	$137.00	$96.00
100g	95%	in stock	$508.00	$356.00

Description

• Catalog Number: AB51429
• Chemical Name: 2,5-Difluoro-4-methylbenzoic acid
• CAS Number: 103877-80-1
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.1288
• MDL Number: MFCD00078261
• SMILES: Fc1cc(C(=O)O)c(cc1C)F

Computed Properties

• Complexity: 184
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2

Upstream Synthesis Route

2,5-Difluoro-4-methylbenzoic acid is a versatile building block in chemical synthesis, commonly used as a key intermediate in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. With its unique fluorinated and methylated structure, this compound serves as a valuable precursor for creating complex molecules in organic synthesis. Its fluoro-substituted benzene ring imparts distinct chemical properties that enable precise tuning of reactivity and selectivity in reactions. Additionally, the methyl group provides steric effects that can influence the overall molecular structure and properties of the final product. In the realm of medicinal chemistry, 2,5-Difluoro-4-methylbenzoic acid plays a crucial role in the development of novel drug candidates with enhanced pharmacological activities and improved biological profiles. Its incorporation into drug molecules can lead to improved metabolic stability, increased bioavailability, and enhanced target specificity, making it an indispensable tool for drug discovery and development. In agrochemistry, this compound is utilized in the synthesis of crop protection agents and plant growth regulators, where its fluorinated moiety can enhance the biological activity and environmental fate of the final products. Moreover, in the realm of materials science, 2,5-Difluoro-4-methylbenzoic acid can serve as a building block for the construction of advanced materials with tailored properties, such as liquid crystals, polymers, and functionalized surfaces. Its versatility and utility in various chemical transformations make it a valuable asset in the toolkit of synthetic chemists seeking to innovate and create novel compounds with targeted functionalities and applications.