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1,4-Benzodioxin,2,3-dihydro-6,7-diiodo-

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Name

1,4-Benzodioxin,2,3-dihydro-6,7-diiodo-

EINECS N/A
CAS No. 155303-91-6 Density 2.387 g/cm3
PSA 18.46000 LogP 2.66700
Solubility N/A Melting Point 118.9-119.0 °C(Solv: methanol (67-56-1))
Formula C8H6I2O2 Boiling Point 340.6 °C at 760 mmHg
Molecular Weight 387.943 Flash Point 159.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 155303-91-6 (6,7-DIIODOBENZO(1,4)DIOXAN) Hazard Symbols IrritantXi
Synonyms

2,3-Dihydro-6,7-diodo-1,4-benzodioxin;

Article Data 4

1,4-Benzodioxin,2,3-dihydro-6,7-diiodo- Specification

The 1,4-Benzodioxin,2,3-dihydro-6,7-diiodo-, with the CAS registry number 155303-91-6, is also known as 2,3-Dihydro-6,7-diodo-1,4-benzodioxin. This chemical's molecular formula is C8H6I2O2 and molecular weight is 387.941. What's more, its systematic name is 6,7-Diiodo-2,3-dihydro-1,4-benzodioxine.

Physical properties about 1,4-Benzodioxin,2,3-dihydro-6,7-diiodo- are: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.87; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 18.46 Å2; (9)Index of Refraction: 1.7; (10)Molar Refractivity: 62.83 cm3; (11)Molar Volume: 162.4 cm3; (12)Polarizability: 24.91×10-24 cm3; (13)Surface Tension: 60.8 dyne/cm; (14)Density: 2.387 g/cm3; (15)Flash Point: 159.8 °C; (16)Enthalpy of Vaporization: 56.1 kJ/mol; (17)Boiling Point: 340.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000168 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc2OCCOc2cc1I
(2) InChI: InChI=1/C8H6I2O2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2H2
(3) InChIKey: ZLFKBNAGGCAGAD-UHFFFAOYAJ

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