320-94-5 | 2-Nitro-4-(trifluoromethyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$14.00	$10.00
5g	97%	in stock	$16.00	$11.00
10g	97%	in stock	$23.00	$16.00
25g	97%	in stock	$42.00	$29.00
100g	97%	in stock	$130.00	$91.00
500g	97%	in stock	$477.00	$334.00

Description

• Catalog Number: AF56889
• Chemical Name: 2-Nitro-4-(trifluoromethyl)benzoic acid
• CAS Number: 320-94-5
• Molecular Formula: C8H4F3NO4
• Molecular Weight: 235.1168696
• MDL Number: MFCD00007142
• SMILES: [O-][N+](=O)c1cc(ccc1C(=O)O)C(F)(F)F

Computed Properties

• Complexity: 299
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.7

Upstream Synthesis Route

2-Nitro-4-trifluoromethylbenzoic acid is a versatile compound widely used in chemical synthesis processes. It serves as a crucial building block in the creation of various advanced materials, pharmaceuticals, agrochemicals, and other fine chemicals. With its unique chemical properties, this compound plays a vital role in the development of novel molecules and compounds with specific functionalities. In chemical synthesis, 2-Nitro-4-trifluoromethylbenzoic acid acts as a key intermediate for the preparation of complex organic compounds by participating in diverse reactions such as esterification, amidation, and cyclization. Its presence enables the introduction of the nitro and trifluoromethyl groups into target molecules, leading to the enhancement of their biological or chemical properties. This compound's utility in synthesis highlights its importance as a valuable tool for researchers and scientists in the field of organic chemistry.

Literature

• Identification of 2-[2-nitro-4-(trifluoromethyl)benzoyl]- cyclohexane-1,3-dione metabolites in urine of patients suffering from tyrosinemia type I with the use of 1H and 19F NMR spectroscopy.

  Acta biochimica Polonica 20080101