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2-Chloro-4-methoxynitrobenzene

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Name

2-Chloro-4-methoxynitrobenzene

EINECS N/A
CAS No. 28987-59-9 Density 1.366 g/cm3
PSA 55.05000 LogP 2.78000
Solubility N/A Melting Point N/A
Formula C7H6ClNO3 Boiling Point 302.5 °C at 760 mmHg
Molecular Weight 187.583 Flash Point 136.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 28987-59-9 (2-Chloro-4-methoxynitrobenzene) Hazard Symbols N/A
Synonyms

3-Chloro-4-nitrophenyl methyl ether;

Article Data 17

2-Chloro-4-methoxynitrobenzene Specification

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

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