1,2-Benzenediol,4,5-dibromo- (2563-26-0)

The 4,5-Dibromo-1,2-benzenediol with the CAS number 2563-26-0 is also called 1,2-Benzenediol,4,5-dibromo-. Both the systematic name and IUPAC name are 4,5-dibromobenzene-1,2-diol. Its molecular formula is C₆H₄Br₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4,5-Dibromo-1,2-benzenediol are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 18.46Ų; (7)Index of Refraction: 1.69; (8)Molar Refractivity: 45.39 cm³; (9)Molar Volume: 118.6 cm³; (10)Polarizability: 17.99×10^-24cm³; (11)Surface Tension: 66 dyne/cm; (12)Enthalpy of Vaporization: 59.35 kJ/mol; (13)Vapour Pressure: 9.89×10^-5 mmHg at 25°C.

Preparation: This chemical can be prepared by benzene-1,2-diol. This reaction needs reagent Br₂ and solvent CCl₄. The yield is 80%.

Uses: This chemical can react with 1-bromo-butane to prepare 1,2-dibromo-4,5-dibutoxy-benzene. This reaction needs reagent K₂CO₃ and solvent dimethylformamide at temperature of 80 °C. The reaction time is 5.0 hours. The yield is 80.2 %.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(O)c(O)cc1Br
(2)InChI: InChI=1/C6H4Br2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H
(3)InChIKey: IOZHUUKIHMKXRG-UHFFFAOYAS