1227489-72-6 | 3-Nitro-4-(trifluoromethyl)benzonitrile

Packsize	Purity	Availability	Price	Discounted Price
50mg	97%	in stock	$31.00	$22.00
1g	97%	in stock	$68.00	$48.00
5g	97%	in stock	$179.00	$125.00

Description

• Catalog Number: AA24747
• Chemical Name: 3-Nitro-4-(trifluoromethyl)benzonitrile
• CAS Number: 1227489-72-6
• Molecular Formula: C8H3F3N2O2
• Molecular Weight: 216.1168
• MDL Number: MFCD16606333
• SMILES: N#Cc1ccc(c(c1)[N+](=O)[O-])C(F)(F)F

Computed Properties

• Complexity: 301
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 6
• XLogP3: 2.4

Upstream Synthesis Route

3-Nitro-4-(trifluoromethyl)benzonitrile is a versatile compound widely utilized in chemical synthesis for its unique reactivity and functional properties. In organic chemistry, this compound serves as a key building block for the synthesis of various biologically active molecules and pharmaceutical intermediates. Its trifluoromethyl group imparts enhanced lipophilicity and metabolic stability to the synthesized compounds, making it valuable in drug discovery and development. Furthermore, the nitro group can undergo reduction or functional group transformations to introduce diverse chemical functionalities, expanding its synthetic utility in complex molecule syntheses. Overall, 3-Nitro-4-(trifluoromethyl)benzonitrile plays a crucial role in modern organic synthesis as a versatile and customizable building block for the creation of novel, functional molecules with diverse applications.