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65355-08-0

Basic Information
CAS No.: 65355-08-0
Name: (R)-(+)-3,3'-DIBROMO-5,5',6,6',7,7',8,8'-OCTAHYDRO(1,1'BINAPHTHALENE)-2,2'-DIOL
Molecular Structure:
Molecular Structure of 65355-08-0 ((R)-(+)-3,3'-DIBROMO-5,5',6,6',7,7',8,8'-OCTAHYDRO(1,1'BINAPHTHALENE)-2,2'-DIOL)
Formula: C20H20Br2O2
Molecular Weight: 452.18
Synonyms: 3,3'-Dibromo-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol;(R)-(+)-3,3'-Dibromo-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthalenediol;3,3'-Dibromo-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol;
Density: 1.628 g/cm3
Melting Point: 146-149 °C(lit.)
Boiling Point: 507.3 °C at 760 mmHg
Flash Point: 260.6 °C
Appearance: Light beige powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 40.46000
LogP: 6.04740
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    (R)-(+)-3,3'-DIBROMO-5,5',6,6',7,7',8,8'-OCTAHYDRO(1,1'BINAPHTHALENE)-2,2'-DIOL

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    65355-08-0

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Specification

The [1,1'-Binaphthalene]-2,2'-diol,3,3'-dibromo-5,5',6,6',7,7',8,8'-octahydro-, (1R)-, with the CAS registry number 65355-08-0, is also known as 3,3'-Dibromo-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol. It belongs to the product categories of Binols; Chiral Catalysts, Ligands, and Reagents; Privileged Ligands and Complexes. This chemical's molecular formula is C20H20Br2O2 and molecular weight is 452.18. What's more, its IUPAC name is 3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Physical properties of [1,1'-Binaphthalene]-2,2'-diol,3,3'-dibromo-5,5',6,6',7,7',8,8'-octahydro-, (1R)- are: (1)ACD/LogP: 7.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.06; (4)ACD/LogD (pH 7.4): 6.97; (5)ACD/BCF (pH 5.5): 137115.3; (6)ACD/BCF (pH 7.4): 110400.89; (7)ACD/KOC (pH 5.5): 165322.81; (8)ACD/KOC (pH 7.4): 133112.67; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 103.56 cm3; (15)Molar Volume: 277.6 cm3; (16)Polarizability: 41.05×10-24cm3; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.628 g/cm3; (19)Flash Point: 260.6 °C; (20)Enthalpy of Vaporization: 80.68 kJ/mol; (21)Boiling Point: 507.3 °C at 760 mmHg; (22)Vapour Pressure: 6.47E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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: Brc1cc4c(c(c1O)c2c(O)c(Br)cc3c2CCCC3)CCCC4
(2)Std. InChI: InChI=1S/C20H20Br2O2/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h9-10,23-24H,1-8H2
(3)Std. InChIKey: WDRTXCNGVVLRSZ-UHFFFAOYSA-N