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CAS No.: | 6120-31-6 |
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Name: | 5,6-DICHLOROBENZO(1,3)DIOXOLE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H4Cl2O2 |
Molecular Weight: | 191.01 |
Synonyms: | Benzene,1,2-dichloro-4,5-(methylenedioxy)- (6CI,7CI,8CI);4,5-Dichloro-1,2-methylenedioxybenzene;5,6-Dichloro-1,3-benzodioxole;NSC15634;5,6-Dichlorobenzo[d][1,3]dioxole; |
Density: | 1.534 g/cm3 |
Boiling Point: | 262.1 °C at 760 mmHg |
Flash Point: | 112.5 °C |
Hazard Symbols: | Xi |
PSA: | 18.46000 |
LogP: | 2.72210 |
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The 1,3-Benzodioxole,5,6-dichloro-, with the CAS registry number 6120-31-6, is also known as 4,5-Dichloro-1,2-methylenedioxybenzene. This chemical's molecular formula is C7H4Cl2O2 and molecular weight is 191.01. What's more, its systematic name is 5,6-Dichloro-1,3-benzodioxole.
Physical properties of 1,3-Benzodioxole,5,6-dichloro- are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 230.33; (6)ACD/BCF (pH 7.4): 230.33; (7)ACD/KOC (pH 5.5): 1708.32; (8)ACD/KOC (pH 7.4): 1708.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 42.2 cm3; (15)Molar Volume: 124.5 cm3; (16)Polarizability: 16.73×10-24 cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.534 g/cm3; (19)Flash Point: 112.5 °C; (20)Enthalpy of Vaporization: 47.97 kJ/mol; (21)Boiling Point: 262.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0181 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2OCOc2cc1Cl
(2)InChI: InChI=1S/C7H4Cl2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2
(3)InChIKey: DVMBKYXRFLTGEH-UHFFFAOYSA-N