62089-35-4 | 2-Methyl-3-(trifluoromethyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$15.00	$10.00
1g	95%	in stock	$18.00	$12.00
5g	95%	in stock	$18.00	$13.00
10g	95%	in stock	$35.00	$25.00
25g	95%	in stock	$87.00	$61.00

Description

• Catalog Number: AB54351
• Chemical Name: 2-Methyl-3-(trifluoromethyl)benzoic acid
• CAS Number: 62089-35-4
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.1459
• MDL Number: MFCD01631588
• SMILES: OC(=O)c1cccc(c1C)C(F)(F)F

Computed Properties

• Complexity: 225
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.7

Upstream Synthesis Route

2-Methyl-3-(trifluoromethyl)benzoic acid (MTFBA) plays a crucial role in chemical synthesis, particularly in the field of organic chemistry and pharmaceutical research. As a versatile building block, MTFBA serves as a key intermediate in the synthesis of various compounds with diverse applications. Its trifluoromethyl group provides unique and desirable properties, such as increased lipophilicity and metabolic stability, making it a valuable component in drug design and discovery. In addition, MTFBA can be used as a substrate for reactions like esterification, amidation, and Suzuki coupling, allowing for the creation of complex molecular structures. Its presence in the synthesis of pharmaceuticals, agrochemicals, and materials highlights its significance in advancing scientific research and innovation.