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3214-12-8

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Basic Information
CAS No.: 3214-12-8
Name: 5,6-DIMETHOXY-1,3-BENZODIOXOLE
Article Data: 1
Molecular Structure:
Molecular Structure of 3214-12-8 (5,6-DIMETHOXY-1,3-BENZODIOXOLE)
Formula: C9H10O4
Molecular Weight: 182.176
Synonyms: Benzene,1,2-dimethoxy-4,5-(methylenedioxy)- (7CI,8CI);5,6-Dimethoxy-1,3-benzodioxole;5,6-Dimethoxybenzo[d][1,3]dioxole;
Density: 1.225 g/cm3
Boiling Point: 235.2 °C at 760 mmHg
Flash Point: 103.6 °C
Hazard Symbols: IrritantXi
PSA: 36.92000
LogP: 1.43250
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Specification

The 1,3-Benzodioxole,5,6-dimethoxy-, with the CAS registry number 3214-12-8, is also known as 5,6-Dimethoxybenzo[d][1,3]dioxole. This chemical's molecular formula is C9H10O4 and molecular weight is 182.17. What's more, its systematic name is 5,6-Dimethoxy-1,3-benzodioxole. 

Physical properties of 1,3-Benzodioxole,5,6-dimethoxy- are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 36.92 Å2; (9)Index of Refraction: 1.528; (10)Molar Refractivity: 45.77 cm3; (11)Molar Volume: 148.6 cm3; (12)Polarizability: 18.14×10-24 cm3; (13)Surface Tension: 40.9 dyne/cm; (14)Density: 1.225 g/cm3; (15)Flash Point: 103.6 °C; (16)Enthalpy of Vaporization: 45.28 kJ/mol; (17)Boiling Point: 235.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0777 mmHg at 25°C.

Preparation: this chemical can be prepared by dichloromethane and 4,5-dimethoxy-[1,2]benzoquinone by electrochemical reaction. This reaction will need reagent Et4NCl. The yield is about 18%.

1,3-Benzodioxole,5,6-dimethoxy- can be prepared by dichloromethane and 4,5-dimethoxy-[1,2]benzoquinone by electrochemical reaction

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C2C(=C1)OCO2)OC
(2)InChI: InChI=1S/C9H10O4/c1-10-6-3-8-9(13-5-12-8)4-7(6)11-2/h3-4H,5H2,1-2H3
(3)InChIKey: BCVVSOXKFUQQQF-UHFFFAOYSA-N