117186-02-4 | 3-Methyl-5-(trifluoromethyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$40.00	$28.00
1g	98%	in stock	$50.00	$35.00
5g	98%	in stock	$128.00	$89.00
25g	98%	in stock	$530.00	$371.00
100g	98%	in stock	$1,980.00	$1,386.00

Description

• Catalog Number: AA17788
• Chemical Name: 3-Methyl-5-(trifluoromethyl)benzoic acid
• CAS Number: 117186-02-4
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.14588959999998
• MDL Number: MFCD01631590
• SMILES: Cc1cc(cc(c1)C(F)(F)F)C(=O)O

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

3-Methyl-5-(trifluoromethyl)benzoic acid, also known as $name$, is a versatile compound that finds crucial applications in chemical synthesis. This compound serves as a valuable building block in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals due to its unique structural properties. One notable application of 3-Methyl-5-(trifluoromethyl)benzoic acid is its role as a key intermediate in the synthesis of biologically active compounds. By utilizing this compound as a starting material, chemists can efficiently access a wide range of complex molecules with diverse pharmacological activities. The trifluoromethyl group in the structure of this compound imparts valuable properties such as increased lipophilicity and metabolic stability, making it an attractive moiety for drug design and development.Furthermore, the presence of the methyl group at the 3-position of the benzoic acid provides synthetic flexibility, allowing for the introduction of various functional groups to tailor the properties of the final compound. This versatility enables chemists to fine-tune the biological activity, solubility, and other important characteristics of the target molecules.Overall, 3-Methyl-5-(trifluoromethyl)benzoic acid plays a crucial role in the synthesis of diverse chemical entities with applications spanning the pharmaceutical, agricultural, and materials science industries. Its strategic position as a building block in organic synthesis makes it a valuable tool for the development of novel compounds with desired properties and functions.