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1,3-Benzenediol,4,6-dibromo-

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Name

1,3-Benzenediol,4,6-dibromo-

EINECS N/A
CAS No. 61524-51-4 Density 2.257 g/cm3
PSA 40.46000 LogP 2.62280
Solubility N/A Melting Point N/A
Formula C6H4Br2O2 Boiling Point 335.9 °C at 760 mmHg
Molecular Weight 267.905 Flash Point 157 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 61524-51-4 (4,6-dibromobenzene-1,3-diol) Hazard Symbols N/A
Synonyms

4,6-Dibromo-1,3-benzenediol;4,6-Dibromoresorcinol;NSC 77964;

Article Data 17

1,3-Benzenediol,4,6-dibromo- Specification

The 1, 3-Benzenediol, 4, 6-dibromo-, with the CAS registry number 61524-51-4, is also known as 4, 6-Dibromo-1, 3-benzenediol. This chemical's molecular formula is C6H4Br2O2 and molecular weight is 267.9028. What's more, its IUPAC name is 4, 6-Dibromobenzene-1, 3-diol.

Physical properties about 1, 3-Benzenediol, 4, 6-dibromo- are: (1)ACD/LogP: 3.16; (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: 18.46 Å2; (7)Index of Refraction: 1.69; (8)Molar Refractivity: 45.39 cm3; (9)Molar Volume: 118.6 cm3; (10)Polarizability: 17.99×10-24 cm3; (11)Surface Tension: 66 dyne/cm; (12)Density: 2.257 g/cm3; (13)Flash Point: 157 °C; (14)Enthalpy of Vaporization: 60.2 kJ/mol; (15)Boiling Point: 335.9 °C at 760 mmHg; (16)Vapour Pressure: 5.94E-05 mmHg at 25 °C.

Preparation of 1, 3-Benzenediol, 4, 6-dibromo-: this chemical is prepared by Benzene-1, 3-diol. This reaction needs reagent Benzyltrimethylammonium tribromide (BTMABr3). Meanwhile, it needs solvents CH2Cl2 and Methanol. The reaction time is 30 minutes. Other conditions of this reaction are 1.) ambient temperature; 2.)reagent 2.0 equivalent. The yield is about 92 %.

The 1, 3-Benzenediol, 4, 6-dibromo- can be obtained by Benzene-1, 3-diol.

Uses of 1, 3-Benzenediol, 4, 6-dibromo-: it is used to produce other chemicals. For example, it is used to produce 4-Bromo-benzene-1, 3-diol. The reaction needs solvent Methanol. And it needs two steps, the reaction conditions are 1.) reagent Na2SO3, NaOH aq. sol; 2.) reagent 10 % HCl. The reaction time is 21 hours. The yield is about 62 %.

1, 3-Benzenediol, 4, 6-dibromo- can be used to produce 4-Bromo-benzene-1, 3-diol.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(Br)c(O)cc1O
(2) InChI: InChI=1/C6H4Br2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H
(3) InChIKey: GYBSXVSGJLAHDV-UHFFFAOYAN

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