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2139-43-7

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Basic Information
CAS No.: 2139-43-7
Name: 5-BROMO-6-[1,3]DIOXOLAN-2-YL-BENZO[1,3]DIOXOLE
Article Data: 29
Molecular Structure:
Molecular Structure of 2139-43-7 (5-BROMO-6-[1,3]DIOXOLAN-2-YL-BENZO[1,3]DIOXOLE)
Formula: C10H9BrO4
Molecular Weight: 273.083
Synonyms: 1,3-Dioxolane,2-[2-bromo-4,5-(methylenedioxy)phenyl]-(6CI,7CI,8CI);NSC 30073;
Density: 1.682g/cm3
Melting Point: 68-69.5 °C
Boiling Point: 322.5 °C at 760 mmHg
Flash Point: 130.5 °C
PSA: 36.92000
LogP: 2.22320
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    Product Name: 5-BROMO-6-[1,3]DIOXOLAN-2-YL-BENZO[1,3]DIOXOLE Synonyms: RARECHEM AL BP 0271;5-BROMO-6-[1,3]DIOXOLAN-2-YL-BENZO[1,3]DIOXOLE;Nsc30073 CAS: 2139-43-7 MF: C10H9BrO4 MW: 273.08 EINECS: Product Categories: Mol File: 2139-43-7.mol Ap

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Specification

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