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EINECS 209-507-3
CAS No. 583-53-9 Density 1.936 g/cm3
Solubility Insoluble in water, but soluble in ethanol, ethyl ether, acetone, acetic acid, benzene, petroleum ether, tetrachloromethane Melting Point 4-6 °C(lit.)
Formula C6H4Br2 Boiling Point 225.421 °C at 760 mmHg
Molecular Weight 235.90 Flash Point 95.5 °C
Transport Information UN 2711 Appearance Clear colourless to light yellow liquid
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 583-53-9 (1,2-Dibromobenzene) Hazard Symbols IrritantXi

Benzene,o-dibromo- (8CI);Benzene,1,2-dibromo-;NSC 60643;o-Dibromobenzene;


1,2-Dibromobenzene Specification

1,2-Dibromobenzene is an organic compound with the formula C6H4Br2, and its systematic name is the same with the product name. With the CAS registry number 583-53-9, it is also named as o-Dibromobenzene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Organics; Benzene derivates; Miscellaneous; Bromine Compounds; Aryl; C6; Halogenated Hydrocarbons. Its EINECS number is 209-507-3. In addition, the molecular weight is 235.90. This chemical is used in organic synthesis.

Physical properties of 1,2-Dibromobenzene are: (1)ACD/LogP: 3.628; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 336.99; (6)ACD/BCF (pH 7.4): 336.99; (7)ACD/KOC (pH 5.5): 2243.20; (8)ACD/KOC (pH 7.4): 2243.20; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 41.633 cm3; (14)Molar Volume: 121.803 cm3; (15)Polarizability: 16.505×10-24cm3; (16)Surface Tension: 41.02 dyne/cm; (17)Density: 1.937 g/cm3; (18)Flash Point: 95.5 °C; (19)Enthalpy of Vaporization: 44.316 kJ/mol; (20)Boiling Point: 225.421 °C at 760 mmHg; (21)Vapour Pressure: 0.13 mmHg at 25°C.

Preparation : this chemical can be prepared by bromobenzene at the temperature of 20 °C. This reaction will need reagents PyHBrCl2, FeCl3 and solvent CH2Cl2 with the reaction time of 2 hours. The yield is about 72%.

1,2-Dibromobenzene can be prepared by bromobenzene at the temperature of 20 °C

Uses of 1,2-Dibromobenzene: it can be used to produce 3-(2-Bromophenylthio)-4H-[1]benzopyran-4-on by heating. It will need reagent Cu with the reaction time of 30 min. The yield is about 54%.

1,2-Dibromobenzene can be used to produce 3-(2-Bromophenylthio)-4H-[1]benzopyran-4-on by heating

When you are using this chemical, please be cautious about it as the following:
This chemcial is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1Br
(2)Std. InChI: InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H

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