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1,2-Dibromobenzene CAS No.:583-53-9

1,2-Dibromobenzene CAS No.:583-53-9

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...

Name

1,2-Dibromobenzene

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

1.jpg

Hazard Symbols

3(001).jpgXi

Synonyms

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.jpg

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%.

2.jpg


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 

(3)Std. InChIKey: WQONPSCCEXUXTQ-UHFFFAOYSA-N


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