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2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione

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Name

2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione

EINECS 250-050-4
CAS No. 30100-35-7 Density 1.243 g/cm3
PSA 43.37000 LogP 1.78660
Solubility N/A Melting Point N/A
Formula C13H10O3 Boiling Point 370.8 °C at 760 mmHg
Molecular Weight 214.221 Flash Point 166.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 30100-35-7 (p-anisyl-p-benzoquinone) Hazard Symbols N/A
Synonyms

p-Anisyl-p-benzoquinone;

Article Data 29

2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione Specification

This chemical is called 2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione, and it's also named as 2,5-Cyclohexadiene-1,4-dione, 2-(4-methoxyphenyl)-. With the molecular formula of C13H10O3, its molecular weight is 214.2167. The CAS registry number of this chemical is 30100-35-7.

Other characteristics of the 2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione can be summarised as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 40.04; (6)ACD/BCF (pH 7.4): 40.04; (7)ACD/KOC (pH 5.5): 488.27; (8)ACD/KOC (pH 7.4): 488.27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 58.25 cm3; (15)Molar Volume: 172.2 cm3; (16)Polarizability: 23.09×10-24cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.243 g/cm3; (19)Flash Point: 166.4 °C; (20)Enthalpy of Vaporization: 61.77 kJ/mol; (21)Boiling Point: 370.8 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-05 mmHg at 25°C.

Production method of this chemical: The 2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione could be obtained by the reactants of 4-methoxy-aniline and [1,4]benzoquinone. This reaction needs the reagents of HCl, NaNO2, and the solvent of dimethylformamide. The yield is 90 %.

The 2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione could be obtained by the reactants of 4-methoxy-aniline and [1,4]benzoquinone

Uses of this chemical: The 2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione could react with acetic acid anhydride to obtain the acetic acid 5-acetoxy-4'-methoxy-biphenyl-2-yl ester. This reaction needs the reagent of Zn. The yield is 65 %.

The 2-(4-Methoxyphenyl)cyclohexa-2,5-diene-1,4-dione could react with acetic acid anhydride to obtain the acetic acid 5-acetoxy-4'-methoxy-biphenyl-2-yl ester

You can still convert the following datas into molecular structure:
1.SMILES: O=C2/C=C\C(=O)\C=C2\c1ccc(OC)cc1
2.InChI: InChI=1/C13H10O3/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,1H3
3.InChIKey: LMZUGHSRDZORTH-UHFFFAOYAU

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