121-01-7 | 2-Amino-5-nitrobenzotrifluoride

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$15.00	$10.00
10g	98%	in stock	$19.00	$13.00
25g	98%	in stock	$23.00	$16.00
100g	98%	in stock	$55.00	$38.00

Description

• Catalog Number: AB68089
• Chemical Name: 2-Amino-5-nitrobenzotrifluoride
• CAS Number: 121-01-7
• Molecular Formula: C7H5F3N2O2
• Molecular Weight: 206.122
• MDL Number: MFCD00007365
• SMILES: [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)N

Computed Properties

• Complexity: 226
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• XLogP3: 2

Upstream Synthesis Route

The application of 4-Nitro-2-trifluoromethylaniline in chemical synthesis lies in its versatility as a key intermediate in the production of various organic compounds. This compound serves as a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Due to the unique properties of the trifluoromethyl group, 4-Nitro-2-trifluoromethylaniline plays a crucial role in introducing fluorine-containing motifs into complex molecules, enhancing their bioactivity and stability. Its presence in the chemical synthesis process enables the creation of novel compounds with improved properties, making it an essential component in the development of new materials and substances.

Literature

• Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of R(4)(4)(12) and R(4)(4)(32) rings in 3-trifluoromethyl-4-nitroaniline.

  Acta crystallographica. Section C, Crystal structure communications 20020201