1046462-99-0 | 4-Nitro-5-trifluoromethyl-1H-pyrazole

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$21.00	$15.00
1g	98%	in stock	$43.00	$31.00
5g	98%	in stock	$195.00	$137.00
10g	98%	in stock	$360.00	$252.00

Description

• Catalog Number: AE13962
• Chemical Name: 4-Nitro-5-trifluoromethyl-1H-pyrazole
• CAS Number: 1046462-99-0
• Molecular Formula: C4H2F3N3O2
• Molecular Weight: 181.0728
• MDL Number: MFCD04971110
• SMILES: [O-][N+](=O)c1cn[nH]c1C(F)(F)F

Computed Properties

• Complexity: 189
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• XLogP3: 1

Upstream Synthesis Route

4-Nitro-5-(Trifluoromethyl)-1H-pyrazole is a versatile compound widely utilized in chemical synthesis as a key building block. Its unique chemical properties make it an essential reagent in various organic reactions, particularly in the field of medicinal chemistry and agrochemical research. With its nitro and trifluoromethyl functional groups, this compound serves as an important intermediate in the synthesis of pharmaceuticals, pesticides, and other biologically active molecules.One of the primary applications of 4-Nitro-5-(Trifluoromethyl)-1H-pyrazole is in the synthesis of heterocyclic compounds. Its presence in the structural skeleton of many organic molecules imparts desired biological activities, making it a valuable starting material for the preparation of potential drug candidates. Furthermore, its ability to participate in diverse chemical transformations, such as nucleophilic substitution and metal-catalyzed reactions, enables the construction of complex molecules with high efficiency and selectivity.In addition, 4-Nitro-5-(Trifluoromethyl)-1H-pyrazole plays a crucial role in the development of new materials, as its incorporation into polymer systems can lead to enhanced properties, such as improved thermal stability and chemical resistance. By leveraging the synthetic versatility of this compound, researchers can explore innovative pathways towards functional materials with tailored characteristics for various industrial applications.