2-METHYL-4-NITROACETANILIDE

The Acetamide,N-(2-methyl-4-nitrophenyl)- with CAS registry number of 2719-15-5 is also called 2'-Methyl-4'-nitroacetanilide and 5-Nitro-2-acetamidotoluene. In addition, the formula is C₉H₁₀N₂O₃ and the molecular weight is 194.1873. It has irritant. 

Physical properties about this chemical are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.06; (6)ACD/BCF (pH 7.4): 24.06; (7)ACD/KOC (pH 5.5): 339.1; (8)ACD/KOC (pH 7.4): 339.1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 51.89 cm³; (15)Molar Volume: 150.6 cm³; (16)Polarizability: 20.57 ×10^-24cm³; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.289 g/cm³; (19)Flash Point: 191.7 °C; (20)Enthalpy of Vaporization: 64.32 kJ/mol; (21)Boiling Point: 393.3 °C at 760 mmHg; (22)Vapour Pressure: 2.15E-06 mmHg at 25°C.

Preparation of Acetamide,N-(2-methyl-4-nitrophenyl)-: It can be prepared by acetic acid anhydride and 2-methyl-aniline. The other product is acetic acid-(2-methyl-6-nitro-anilide). This reaction needs reagent HNO₃. The yield is 60%.



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. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1C)[N+]([O-])=O)C
(2)InChI: InChI=1/C9H10N2O3/c1-6-5-8(11(13)14)3-4-9(6)10-7(2)12/h3-5H,1-2H3,(H,10,12)
(3)InChIKey: JZEOVPGWIWSSAK-UHFFFAOYAV