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33440-64-1

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Basic Information
CAS No.: 33440-64-1
Name: BI-LAWSONE
Article Data: 11
Molecular Structure:
Molecular Structure of 33440-64-1 (BI-LAWSONE)
Formula: C20H10O6
Molecular Weight: 346.296
Synonyms: 2,2'-Bi(3-hydroxy-1,4-naphthoquinone);1,1'-Dihydroxy-2,2'-binaphthalene-3,3',4,4'-tetrone;
Density: 1.691 g/cm3
Melting Point: 250 °C
Boiling Point: 511.3 °C at 760 mmHg
Flash Point: 277.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 108.74000
LogP: 2.76900
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Specification

The [2,2'-Binaphthalene]-1,1',4,4'-tetrone,3,3'-dihydroxy-, with the CAS registry number 33440-64-1, is also known as 2,2'-Bi(3-hydroxy-1,4-naphthoquinone). This chemical's molecular formula is C20H10O6 and molecular weight is 346.29. What's more, its systematic name is 1,1'-dihydroxy-2,2'-binaphthalene-3,3',4,4'-tetrone.

Physical properties of [2,2'-Binaphthalene]-1,1',4,4'-tetrone,3,3'-dihydroxy- are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 86.74 Å2; (7)Index of Refraction: 1.793; (8)Molar Refractivity: 87.01 cm3; (9)Molar Volume: 204.6 cm3; (10)Polarizability: 34.49×10-24cm3; (11)Surface Tension: 101.9 dyne/cm; (12)Density: 1.691 g/cm3; (13)Flash Point: 277.1 °C; (14)Enthalpy of Vaporization: 82.36 kJ/mol; (15)Boiling Point: 511.3 °C at 760 mmHg; (16)Vapour Pressure: 2.8E-11 mmHg at 25°C.

Preparation of [2,2'-Binaphthalene]-1,1',4,4'-tetrone,3,3'-dihydroxy-: this chemical can be prepared by 2-hydroxy-[1,4]naphthoquinone by heating. This reaction will need reagents ammonium metavanadate, HClO4 and solvents H2O, acetone with the reaction time of 15 min. The yield is about 45%.

[2,2'-Binaphthalene]-1,1',4,4'-tetrone,3,3'-dihydroxy- can be prepared by 2-hydroxy-[1,4]naphthoquinone by heating

Uses of [2,2'-Binaphthalene]-1,1',4,4'-tetrone,3,3'-dihydroxy-: it can be used to produce 3,5,3',5'-tetramethoxy-[2,2']binaphthalenyl-1,4,1',4'-tetraone. It will need solvents petroleum ether, CHCl3. The yield is about 70%.

[2,2'-Binaphthalene]-1,1',4,4'-tetrone,3,3'-dihydroxy- can be used to produce 3,5,3',5'-tetramethoxy-[2,2']binaphthalenyl-1,4,1',4'-tetraone

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3c4ccccc4C(\O)=C(\C\2=C(/O)c1c(cccc1)C(=O)C/2=O)C3=O
(2)InChI: InChI=1S/C20H10O6/c21-15-9-5-1-3-7-11(9)17(23)19(25)13(15)14-16(22)10-6-2-4-8-12(10)18(24)20(14)26/h1-8,21-22H
(3)InChIKey: SXSJQXOTICWTFX-UHFFFAOYSA-N