Product Name

  • Name

    (S)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol

  • EINECS 632-860-3
  • CAS No. 80655-81-8
  • Article Data1
  • CAS DataBase
  • Density 1.761 g/cm3
  • Solubility
  • Melting Point 195-199 °C(lit.)
  • Formula C20H12Br2O2
  • Boiling Point 546.2 °C at 760 mmHg
  • Molecular Weight 444.122
  • Flash Point 284.1 °C
  • Transport Information
  • Appearance white to light yellow crystal powder
  • Safety 26-36-37/39
  • Risk Codes 36/37/38-22
  • Molecular Structure Molecular Structure of 80655-81-8 ((S)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol)
  • Hazard Symbols IrritantXi,HarmfulXn
  • 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;
  • PSA 40.46000
  • LogP 6.59620

(S)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol 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

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