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Name |
1,3-Benzodioxole,5-bromo-6-(1,3-dioxolan-2-yl)- |
EINECS | N/A |
CAS No. | 2139-43-7 | Density | 1.682g/cm3 |
PSA | 36.92000 | LogP | 2.22320 |
Solubility | N/A | Melting Point |
68-69.5 °C |
Formula | C10H9BrO4 | Boiling Point | 322.5 °C at 760 mmHg |
Molecular Weight | 273.083 | Flash Point | 130.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3-Dioxolane,2-[2-bromo-4,5-(methylenedioxy)phenyl]-(6CI,7CI,8CI);NSC 30073; |
Article Data | 29 |
The 1,3-Benzodioxole,5-bromo-6-(1,3-dioxolan-2-yl)-, with CAS registry number 2139-43-7, has the systematic name of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole. Besides this, it is also called 5-Bromo-6-[1,3]dioxolan-2-yl-benzo; [1,3]dioxole. And the chemical formula of this chemical is C10H9BrO4.
Physical properties of 1,3-Benzodioxole,5-bromo-6-(1,3-dioxolan-2-yl)-: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 36.92 Å2; (7)Index of Refraction: 1.597; (8)Molar Refractivity: 55.34 cm3; (9)Molar Volume: 162.3 cm3; (10)Polarizability: 21.93×10-24cm3; (11)Surface Tension: 58.2 dyne/cm; (12)Density: 1.682 g/cm3; (13)Flash Point: 130.5 °C; (14)Enthalpy of Vaporization: 54.19 kJ/mol; (15)Boiling Point: 322.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000523 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1OCOc1cc2C3OCCO3
(2)InChI: InChI=1/C10H9BrO4/c11-7-4-9-8(14-5-15-9)3-6(7)10-12-1-2-13-10/h3-4,10H,1-2,5H2
(3)InChIKey: PVYUTFBRTJGJMI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H9BrO4/c11-7-4-9-8(14-5-15-9)3-6(7)10-12-1-2-13-10/h3-4,10H,1-2,5H2
(5)Std. InChIKey: PVYUTFBRTJGJMI-UHFFFAOYSA-N