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CAS No.: | 155303-91-6 |
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Name: | 6,7-DIIODOBENZO(1,4)DIOXAN |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H6I2O2 |
Molecular Weight: | 387.943 |
Synonyms: | 2,3-Dihydro-6,7-diodo-1,4-benzodioxin; |
Density: | 2.387 g/cm3 |
Melting Point: | 118.9-119.0 °C(Solv: methanol (67-56-1)) |
Boiling Point: | 340.6 °C at 760 mmHg |
Flash Point: | 159.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 18.46000 |
LogP: | 2.66700 |
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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