CAS No.80655-81-8,(S)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80655-81-8
Name:	(S)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol
Article Data:	1

Formula:	C₂₀H₁₂Br₂O₂
Molecular Weight:	444.122
Synonyms:	[1,1'-Binaphthalene]-2,2'-diol,6,6'-dibromo-, (S)-;(1S)-6,6'-Dibromo[1,1'-binaphthalene]-2,2'-diol;(S)-6,6'-Dibromo-1,1'-bi-2-naphthol;(S)-6,6'-Dibromo-2,2'-dihydroxy-1,1'-binaphthyl;
EINECS:	632-860-3
Density:	1.761 g/cm³
Melting Point:	195-199 °C(lit.)
Boiling Point:	546.2 °C at 760 mmHg
Flash Point:	284.1 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xi,Xn
Risk Codes:	36/37/38-22
Safety:	26-36-37/39
PSA:	40.46000
LogP:	6.59620

Total:31 Page 1 of 1 1

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Specification

The 6,6'-dibromo-1,1'-bi-2-naphthol is an organic compound with the formula C₂₀H₁₂Br₂O₂. The systematic name of this chemical is 6,6'-dibromo-1,1'-binaphthalene-2,2'-diol. With the CAS registry number 80655-81-8, it is also named as [1,1'-binaphthalene]-2,2'-diol, 6,6'-dibromo-. The product's categories are Blocks; Bromides; Chiral; Asymmetric Synthesis; Synthetic Organic Chemistry; Privileged Ligands and Complexes; Binols; Chiral Catalysts, Ligands, and Reagents. Besides, it is white to light yellow crystal powder, which should be stored in a closed cool and dry place.

Physical properties about 6,6'-dibromo-1,1'-bi-2-naphthol are: (1)D/LogP: 5.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.91; (4)ACD/LogD (pH 7.4): 5.75; (5)ACD/BCF (pH 5.5): 18100.93; (6)ACD/BCF (pH 7.4): 12774; (7)ACD/KOC (pH 5.5): 38779.53; (8)ACD/KOC (pH 7.4): 27367.09; (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: 1.778; (14)Molar Refractivity: 105.67 cm³; (15)Molar Volume: 252.1 cm³; (16)Polarizability: 41.89×10^-24cm³; (17)Surface Tension: 66.1 dyne/cm; (18)Density: 1.761 g/cm³; (19)Flash Point: 284.1 °C; (20)Enthalpy of Vaporization: 85.61 kJ/mol; (21)Boiling Point: 546.2 °C at 760 mmHg; (22)Vapour Pressure: 1.53E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc4c(c1)ccc(O)c4c2c(O)ccc3c2ccc(Br)c3
(2)InChI: InChI=1/C20H12Br2O2/c21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h1-10,23-24H
(3)InChIKey: OORIFUHRGQKYEV-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C20H12Br2O2/c21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h1-10,23-24H
(5)Std. InChIKey: OORIFUHRGQKYEV-UHFFFAOYSA-N