2-Nitro-4-trifluoromethylbenzoic acid

The IUPAC name of this chemical is 2-nitro-4-(trifluoromethyl)benzoate. With the CAS registry number 320-94-5, it is also named as Benzoic acid, 2-nitro-4-(trifluoromethyl)-. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid.

The other characteristics of 2-Nitro-4-trifluoromethylbenzoic acid can be summarized as: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.518; (13)Molar Refractivity: 44.7 cm³; (14)Molar Volume: 147.3 cm³; (15)Polarizability: 17.72×10^-24 cm³; (16)Surface Tension: 45.2 dyne/cm; (17)Enthalpy of Vaporization: 57.77 kJ/mol; (18)Vapour Pressure: 0.000333 mmHg at 25°C; (19)Exact Mass: 234.001417; (20)MonoIsotopic Mass: 234.001417; (21)Topological Polar Surface Area: 86; (22)Heavy Atom Count: 16; (23)Formal Charge: -1; (24)Complexity: 293.

Uses of 2-Nitro-4-trifluoromethylbenzoic acid: It is used to produce 2-amino-4-trifluoromethyl-benzoic acid. This reaction needs reagent iron-powder and aqueous NH₄Cl.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:FC(F)(F)c1ccc(c([N+]([O-])=O)c1)C(=O)O
2. InChI:InChI=1/C8H4F3NO4/c9-8(10,11)4-1-2-5(7(13)14)6(3-4)12(15)16/h1-3H,(H,13,14) 
3. InChIKey:MYSAXQPTXWKDPQ-UHFFFAOYAV