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