2-NITROBENZAMIDE

The IUPAC name of this chemical is 2-Nitrobenzamide. With the CAS registry number 610-15-1 and EINECS registry number 210-208-5, it is also named as Benzamide,2-nitro-. In addition, the molecular formula is C₇H₆N₂O₃ and the molecular weight is 166.13. It is a kind of beige crystalline powder and belongs to the classes of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Amides; Carbonyl Compounds; Organic Building Blocks. During using it, you should avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: -0.08; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 30; (5)ACD/KOC (pH 7.4): 30; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 88.91 Å²; (10)Index of Refraction: 1.612; (11)Molar Refractivity: 41.729 cm³; (12)Molar Volume: 119.976 cm³; (13)Polarizability: 16.543 ×10^-24cm³; (14)Surface Tension: 62.39 dyne/cm; (15)Density: 1.385 g/cm³; (16)Flash Point: 146.039 °C; (17)Enthalpy of Vaporization: 55.931 kJ/mol; (18)Boiling Point: 317.864 °C at 760 mmHg.

Preparation of 2-Nitrobenzamide: it can be prepared by 2-nitro-benzonitrile. This reaction will need reagents Al₂O₃ and MeSO₃H. The reaction time is 15 minutes at reaction temperature of 120 °C. The yield is about 90%.

Uses of 2-Nitrobenzamide: it can react with 2-iodo-thiophene to get 2-nitro-N-thiophen-2-yl-benzamide. This reaction will need reagents ethylenediamine, CuI and K₃PO₄, and solvent dioxane. The yield is about 52% by heating.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccccc1C(N)=O
(2)InChI: InChI=1/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10)
(3)InChIKey: KLGQWSOYKYFBTR-UHFFFAOYAM

The toxicity data is as follows: