115571-66-9 | 3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$16.00	$11.00
5g	97%	in stock	$18.00	$13.00
25g	97%	in stock	$72.00	$51.00
100g	97%	in stock	$182.00	$128.00

Description

• Catalog Number: AA20770
• Chemical Name: 3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene
• CAS Number: 115571-66-9
• Molecular Formula: C8H4Cl2F3NO2
• Molecular Weight: 274.0241
• MDL Number: MFCD04972788
• SMILES: [O-][N+](=O)c1c(C)c(cc(c1Cl)Cl)C(F)(F)F

Computed Properties

• Complexity: 281
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 5
• XLogP3: 4.3

Upstream Synthesis Route

The chemical compound 3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene is a versatile reagent commonly used in chemical synthesis processes. It serves as a key building block in the production of various pharmaceuticals, agrochemicals, and specialty chemicals due to its unique structural properties and reactivity.In chemical synthesis, 3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene is often employed as a precursor in the preparation of complex organic molecules. Its trifluoromethyl group provides a valuable source of fluorine in organic molecules, imparting desirable properties such as increased lipophilicity, metabolic stability, and bioactivity. This compound can undergo various chemical transformations, such as nucleophilic substitution, reduction, and coupling reactions, to introduce functional groups and stereochemical diversity into organic molecules.Furthermore, 3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene is used in the synthesis of fluorinated building blocks, which are important in medicinal chemistry for enhancing drug efficacy and improving pharmacokinetic properties. Its incorporation into drug molecules can lead to improved biological activity, increased binding affinity to target receptors, and enhanced metabolic stability.Overall, the application of 3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene in chemical synthesis plays a vital role in the development of novel compounds with diverse applications in the fields of pharmaceuticals, agrochemicals, and materials science.