p-Nitrobenzamide

The IUPAC name of p-Nitrobenzamide is 4-nitrobenzamide. With the CAS registry number 619-80-7, it is also named as AI3-01346; NSC 2902; Benzamide, 4-nitro-. The product's categories are aromatic carboxylic acids, amides, anilides, anhydrides & salts, carbonyl compounds and organic building blocks.

The p-Nitrobenzamide is white powder which is stable and incompatible with strong oxidizing agents, strong bases. It is highly toxic and flammable by fire. It also can produce toxic nitrogen oxide fumes by high teat. So the storage environment should be ventilate, low-temperature and dry. Keep this product separate from oxidants and food additives. p-Nitrobenzamide can be used as intermediates of medicine and dyes. 

The p-Nitrobenzamide is harmful by inhalation, in contact with skin and if swallowed. Take off immediately all contaminated clothing. After contact with skin, wash immediately with plenty of soap-suds. If you want to contact this product, you must wear suitable protective clothing and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.47; (6)ACD/BCF (pH 7.4): 2.47; (7)ACD/KOC (pH 5.5): 66.54; (8)ACD/KOC (pH 7.4): 66.54; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 41.72 cm³; (14)Molar Volume: 119.9 cm³; (15)Polarizability: 16.54×10^-24 cm³; (16)Surface Tension: 62.3 dyne/cm; (17)Enthalpy of Vaporization: 61.46 kJ/mol; (18)Vapour Pressure: 1.32E-05 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 2; (21)Exact Mass: 166.037842; (22)MonoIsotopic Mass: 166.037842; (23)Topological Polar Surface Area: 88.9; (24)Heavy Atom Count: 12.

People can use the following data to convert to the molecule structure. SMILES: O=[N+]([O-])c1ccc(C(=O)N)cc1; InChI: InChI=1/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10); InChIKey: ZESWUEBPRPGMTP-UHFFFAOYAG. p-Nitrobenzamide has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd..

The following is the toxicity data which has been tested.