CAS No.13185-00-7,(S)-(+)-6,6'-DIBROMO-1,1'-BI-2-NAPHTHOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13185-00-7
Name:	(S)-(+)-6,6'-DIBROMO-1,1'-BI-2-NAPHTHOL
Article Data:	1

Formula:	C₂₀H₁₂Br₂O₂
Molecular Weight:	444.122
Synonyms:	1,1'-Bi-2-naphthol,6,6'-dibromo- (6CI);2,2'-Dihydroxy-6,6'-dibromo-1,1'-binaphthalene;6,6'-Dibromo-1,1'-bi-2-naphthol;6,6'-Dibromo-2,2'-dihydroxy-1,1'-binaphthalene;6,6'-Dibromo-2,2'-dihydroxy-1,1'-binaphthyl;6,6'-Dibromo-a-binaphthyl-2,2'-diol;NSC 9772;
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 powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	40.46000
LogP:	6.59620

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Specification

The [1,1'-Binaphthalene]-2,2'-diol,6,6'-dibromo-, with CAS registry number 13185-00-7, belongs to the following product categories: (1)Organic Building Blocks; (2)Oxygen Compounds; (3)Polyols. It has the systematic name of 6,6'-Dibromo-1,1'-bi-2-naphthol. This chemical is a kind of white powder. And the chemical formula of this chemical is C₂₀H₁₂Br₂O₂.

Physical properties of [1,1'-Binaphthalene]-2,2'-diol,6,6'-dibromo-: (1)ACD/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:
The [1,1'-Binaphthalene]-2,2'-diol,6,6'-dibromo- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

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