116070-39-4 | 3-Methyl-5-(trifluoromethyl)benzaldehyde

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$38.00	$26.00
250mg	98%	in stock	$58.00	$40.00
1g	98%	in stock	$113.00	$79.00
5g	98%	in stock	$286.00	$200.00
10g	98%	in stock	$461.00	$323.00

Description

• Catalog Number: AA14790
• Chemical Name: 3-Methyl-5-(trifluoromethyl)benzaldehyde
• CAS Number: 116070-39-4
• Molecular Formula: C9H7F3O
• Molecular Weight: 188.1465
• MDL Number: MFCD16652409
• SMILES: O=Cc1cc(C)cc(c1)C(F)(F)F

Computed Properties

• Complexity: 188
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• XLogP3: 2.6

Upstream Synthesis Route

3-methyl-5-(trifluoromethyl)benzaldehyde, also known as $name$, is a versatile compound that finds application in various chemical synthesis processes. This compound serves as a key building block in the creation of pharmaceuticals, agrochemicals, and advanced materials due to its unique chemical properties. In chemical synthesis, $name$ is commonly used as a starting material for the production of a wide range of complex molecules through various reactions such as aldol condensation, Grignard reactions, and Wittig reactions. Its reactive aldehyde group and trifluoromethyl substituent make it valuable in the formation of carbon-carbon and carbon-heteroatom bonds, allowing for the modification and functionalization of organic molecules. Additionally, the trifluoromethyl group enhances the lipophilicity, metabolic stability, and bioactivity of the resulting compounds, making $name$ a valuable tool in the design and development of novel chemical entities for pharmaceutical and agrochemical applications.