112897-97-9 | Trans-3,4-difluorocinnamic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$13.00	$9.00
5g	97%	in stock	$18.00	$13.00
25g	97%	in stock	$32.00	$22.00
100g	97%	in stock	$108.00	$76.00

Description

• Catalog Number: AD62274
• Chemical Name: Trans-3,4-difluorocinnamic acid
• CAS Number: 112897-97-9
• Molecular Formula: C9H6F2O2
• Molecular Weight: 184.1395
• MDL Number: MFCD00010320
• SMILES: OC(=O)/C=C/c1ccc(c(c1)F)F

Computed Properties

• Complexity: 216
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.1

Upstream Synthesis Route

Trans-3,4-Difluorocinnamic acid is a versatile compound that finds wide application in chemical synthesis. Its unique molecular structure, characterized by the presence of fluorine atoms at specific positions, confers distinct reactivity and properties that make it valuable in many synthetic processes. One of the primary uses of trans-3,4-Difluorocinnamic acid is as a key building block in the synthesis of various pharmaceuticals and agrochemicals. The presence of fluorine atoms in the molecule can improve the pharmacokinetic properties of the final compound, enhancing its biological activity and selectivity.Moreover, trans-3,4-Difluorocinnamic acid is often employed in the development of new materials, such as specialty polymers and organic semiconductors. By incorporating this compound into the molecular structure of these materials, researchers can tailor their properties to meet specific requirements, such as increased thermal stability or improved electronic properties.Overall, the versatility of trans-3,4-Difluorocinnamic acid in chemical synthesis makes it a valuable tool for researchers and chemists looking to design and create novel compounds with enhanced properties and functionalities.