2-Chloro-4-methoxynitrobenzene (28987-59-9)

The 2-Chloro-4-methoxynitrobenzene is an organic compound with the formula C₇H₆ClNO₃. The IUPAC name of this chemical is 2-chloro-4-methoxy-1-nitrobenzene. With the CAS registry number 28987-59-9, it is also named as 3-Chloro-4-nitrophenyl methyl ether.

Physical properties about 2-Chloro-4-methoxynitrobenzene are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.65; (3)ACD/LogD (pH 7.4): 2.65; (4)ACD/BCF (pH 5.5): 60.7; (5)ACD/BCF (pH 7.4): 60.7; (6)ACD/KOC (pH 5.5): 657.7; (7)ACD/KOC (pH 7.4): 657.7; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 55.05 Å²; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 44.37 cm³; (13)Molar Volume: 137.2 cm³; (14)Polarizability: 17.59×10^-24cm³; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.366 g/cm³; (17)Flash Point: 136.7 °C; (18)Enthalpy of Vaporization: 52.1 kJ/mol; (19)Boiling Point: 302.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00177 mmHg at 25°C.

Preparation: this chemical can be prepared by Sulfuric acid dimethyl ester and 3-Chloro-4-nitro-phenol. This reaction will need reagent 80percent Sodium hydride and solvent Tetrahydrofuran. The reaction time is 3 hours by heating. The yield is about 92%.

Uses of 2-Chloro-4-methoxynitrobenzene: it can be used to produce 3-methoxy-2-nitrodiphenylamine at temperature of 140 °C. It will need reagent Aniline with reaction time of 24 hours. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(OC)cc1Cl
(2)InChI: InChI=1/C7H6ClNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
(3)InChIKey: QTIDRIQSPAELJC-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H6ClNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
(5)Std. InChIKey: QTIDRIQSPAELJC-UHFFFAOYSA-N