3-Chloro-2-nitroaniline

The 3-Chloro-2-nitroaniline with CAS registry number of 59483-54-4 is also known as 2-Nitro-3-chloroaniline. The IUPAC name and product name are the same. It belongs to product categories of Amines; Blocks; NitroCompounds; Pyridines; Anilines, Aromatic Amines and Nitro Compounds. Its EINECS registry number is 261-782-9. In addition, the formula is C₆H₅ClN₂O₂ and the molecular weight is 172.57.

Physical properties about 3-Chloro-2-nitroaniline are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.75; (6)ACD/BCF (pH 7.4): 46.75; (7)ACD/KOC (pH 5.5): 545.54; (8)ACD/KOC (pH 7.4): 545.54; (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)Surface Tension: 62.2 dyne/cm; (16)Density: 1.494 g/cm³; (17)Flash Point: 151.6 °C; (18)Enthalpy of Vaporization: 56.93 kJ/mol; (19)Boiling Point: 327.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000207 mmHg at 25 °C.

Preparation of 3-Chloro-2-nitroaniline: it is prepared by reaction of 1,3-dichloro-2-nitro-benzene. The reaction needs reagent aq. NH₄OH (d = 0.880) and solvent ethanol at the temperature of 150 °C for 14 days. The yield is about 81% Turnov.

Uses of 3-Chloro-2-nitroaniline: it is used to produce 3-chloro-2-nitrobiphenyl by reaction with benzene. The reaction occurs with reagent amyl nitrite and other condition of heating for 8 hours. The yield is about 53% Turnov.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])N
2. InChI: InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
3. InChIKey: YADOEPHJIBKBCN-UHFFFAOYSA-N