2-CHLORO-N,N-DIMETHYL-4-NITROANILINE

The Benzenamine, 2-chloro-N, N-dimethyl-4-nitro-, with the CAS registry number of 6213-19-0, is also known as 2-Chloro-4-nitro-N, N-dimethylaniline and 3-Chloro-4-dimethylaminonitrobenzene. Its EINECS registry number is 228-280-1. This chemical's molecular formula is C₈H₉ClN₂O₂ and molecular weight is 200.62. What's more, its IUPAC name is 2-Chloro-N, N-dimethyl-4-nitroaniline.

Physical properties about Benzenamine, 2-chloro-N, N-dimethyl-4-nitro- are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 354.16; (6)ACD/BCF (pH 7.4): 354.16; (7)ACD/KOC (pH 5.5): 2324.46; (8)ACD/KOC (pH 7.4): 2324.47; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 52 cm³; (15)Molar Volume: 151.2 cm³; (16)Polarizability: 20.61×10^-24 cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.326 g/cm³; (19)Flash Point: 133.8 °C; (20)Enthalpy of Vaporization: 53.75 kJ/mol; (21)Boiling Point: 297.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00134 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 1, 2-Dichloro-4-nitro-benzene with Hexamethyl-phosphamide. The reaction time is 12 hours with reaction temperature of 150 °C. The yield is about 89 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Chloro-N¹,N¹-dimethyl-p-phenylenediamine. The reaction needs reagent N₂H₄ and catalyst Raney-Ni. The yield is about 81 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(ccc1N(C)C)[N+]([O-])=O
(2) InChI: InChI=1/C8H9ClN2O2/c1-10(2)8-4-3-6(11(12)13)5-7(8)9/h3-5H,1-2H3
(3) InChIKey: OZKAWTHGBGLZKC-UHFFFAOYAN