Benzenamine,2-chloro-4-nitro-

The IUPAC name of this product is 2-chloro-4-nitroaniline. With the CAS registry number 121-87-9, it is also named as 1-Amino-2-chloro-4-nitrobenzene; 4-12-00-01675 (Beilstein Handbook Reference); Aniline, 2-chloro-4-nitro-; BRN 0638657; Benzenamine, 2-chloro-4-nitro-; CCRIS 2648; ortho-Chloro-para-nitroaniline. The product's categories are intermediates of dyes and pigments, pharmacetical, functional materials and organic nonlinear optical materials.  

The 2-Chloro-4-nitroaniline is yellow crystalline powder which is soluble in ethanol, ether and benzene, slightly soluble in water and acid, insoluble in crude petrol. It is stable and incompatible with strong oxidizing agents, strong bases, strong acids. This chemical is used in organic synthesis, also used as dye intermediates.

The 2-Chloro-4-nitroaniline is harmful if swallowed. Inhalation, ingestion or skin contact with material may cause severe injury or death. So people must avoid any skin contact and not breathe dust. Fire may produce irritating, corrosive and/or toxic gases. This product may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.43; (6)ACD/BCF (pH 7.4): 43.43; (7)ACD/KOC (pH 5.5): 517.54; (8)ACD/KOC (pH 7.4): 517.54; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 41.92 cm³; (14)Molar Volume: 115.5 cm³; (15)Polarizability: 16.62×10^-24 cm³; (16)Surface Tension: 62.2 dyne/cm; (17)Enthalpy of Vaporization: 56.84 kJ/mol; (18)Vapour Pressure: 0.000219 mmHg at 25°C; (19)Exact Mass: 172.003955; (20)MonoIsotopic Mass: 172.003955; (21)Topological Polar Surface Area: 71.8; (22)Heavy Atom Count: 11.

People can use the following data to convert to the molecule structure. SMILES: Clc1cc([N+]([O-])=O)ccc1N; InChI: InChI=1/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2; InChIKey: LOCWBQIWHWIRGN-UHFFFAOYAC. 2-Chloro-4-nitroaniline has many suppliers, such as Hanghzou Fayer Chemicals Co., Ltd., Hebei Yongtai-Create Chemicals Co., Ltd. and Jiangsu International Economic-Technical Cooperation Corp..

 The following is the toxicity data which has been tested.