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5,6-Dibromo-1,3-benzodioxole

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Name

5,6-Dibromo-1,3-benzodioxole

EINECS N/A
CAS No. 5279-32-3 Density 2.104 g/cm3
PSA 18.46000 LogP 2.94030
Solubility N/A Melting Point 83-85 °C
Formula C7H4Br2O2 Boiling Point 294.7 °C at 760 mmHg
Molecular Weight 279.916 Flash Point 118.1 °C
Transport Information N/A Appearance White to cream Solid
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 5279-32-3 (1,2-DIBROMO-4,5-(METHYLENEDIOXY)BENZENE) Hazard Symbols IrritantXi
Synonyms

4,5-Methylenedioxy-1,2-dibromobenzene;1,2-Dibromo-4,5-methylenedioxybenzene;

Article Data 13

5,6-Dibromo-1,3-benzodioxole Specification

The 1,3-Benzodioxole,5,6-dibromo-, with the CAS registry number 5279-32-3, is also known as 4,5-Methylenedioxy-1,2-dibromobenzene and 1,2-Dibromo-4,5-methylenedioxybenzene. This chemical's molecular formula is C7H4Br2O2 and molecular weight is 279.9135. What's more, both its IUPAC name and systematic name are the same which is called 5,6-Dibromo-1,3-benzodioxole.

Physical properties about this chemical are: (1)ACD/LogP: 3.76; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.638; (8)Molar Refractivity: 47.79 cm3; (9)Molar Volume: 132.9 cm3; (10)Surface Tension: 55.9 dyne/cm; (11)Density: 2.104 g/cm3; (12)Flash Point: 118.1 °C; (13)Enthalpy of Vaporization: 51.29 kJ/mol; (14)Boiling Point: 294.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00281 mmHg at 25 °C; (16)Melting Point: 83-85 °C.

Preparation of 1,3-Benzodioxole,5,6-dibromo-: this chemical can be prepared by Benzo[1,3]dioxole.

This reaction needs reagent Br2 and solvent CCl4 at temperature of 0-5 °C. The yield is 53.1%.

Uses of 1,3-Benzodioxole,5,6-dibromo-: it is used to produce other chemicals. For example, it is used to produce Benzo[1,3]dioxole-5,6-dicarbonitrile.

The reaction occurs with solvent Dimethylformamide at temperature of 153 °C. The yield is 48.01%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to the skin or other mucous membranes. Therefore, you should avoid contacting with skin and eyes. In addition, you had better not breathe dust.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc2OCOc2cc1Br
(2) InChI: InChI=1/C7H4Br2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2
(3) InChIKey: WPYAICCSYGUFTK-UHFFFAOYAC

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