4,5-Dibromo-1,2-benzenediol supplier

Name
4,5-Dibromo-1,2-benzenediol
EINECS
CAS No. 2563-26-0
Article Data31
CAS DataBase
Density 2.257g/cm³
Solubility
Melting Point 111-116°C (lit.)
Formula C₆H₄Br₂O₂
Boiling Point 328.5 °C at 760 mmHg
Molecular Weight 267.905
Flash Point 152.5 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Pyrocatechol, 4,5-dibromo- (6CI,7CI);4,5-Dibromo-1,2-benzenediol;4,5-Dibromocatechol;4,5-Dibromopyrocatechol;NSC10858;
PSA 40.46000
LogP 2.62280

4,5-Dibromo-1,2-benzenediol Specification

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: 18.46Å²; (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

Product Name

4,5-Dibromo-1,2-benzenediol

4,5-Dibromo-1,2-benzenediol Specification

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