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4,5-Dibromo-1,2-benzenediol

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Name

4,5-Dibromo-1,2-benzenediol

EINECS N/A
CAS No. 2563-26-0 Density 2.257g/cm3
PSA 40.46000 LogP 2.62280
Solubility N/A 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 N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2563-26-0 (4,5-Dibromo-1,2-benzenediol) Hazard Symbols Xi
Synonyms

Pyrocatechol, 4,5-dibromo- (6CI,7CI);4,5-Dibromo-1,2-benzenediol;4,5-Dibromocatechol;4,5-Dibromopyrocatechol;NSC10858;

Article Data 31

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

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