Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
[1,1'-Binaphthalene]-2,2'-diol,3,3'-dibromo-, (1R)- |
EINECS | N/A |
CAS No. | 111795-43-8 | Density | 1.761 g/cm3 |
PSA | 40.46000 | LogP | 6.59620 |
Solubility | N/A | Melting Point |
256-260 °C |
Formula | C20H12Br2O2 | Boiling Point | 469.9 °C at 760 mmHg |
Molecular Weight | 444.122 | Flash Point | 238 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
[1,1'-Binaphthalene]-2,2'-diol,3,3'-dibromo-, (R)-;(1R)-3,3'-Dibromo[1,1'-binaphthalene]-2,2'-diol;(R)-3,3'-Dibromo-1,1'-bi-2-naphthol; |
Article Data | 4 |
The [1,1'-Binaphthalene]-2,2'-diol,3,3'-dibromo-, (1R)-, with its CAS registry number 111795-43-8, has the systematic name of 3,3'-dibromo-1,1'-binaphthalene-2,2'-diol. And it has the molecular formula of C20H12Br2O2 and the molecular weight of 444.12. Besides, for being a kind of white to light yellow crystal powde, it belongs to the product categories which include Asymmetric Synthesis; Synthetic Organic Chemistry; Chiral Catalysts, Ligands, and Reagents; Privileged Ligands and Complexes. Being stable in normal temperature and pressure, it should be kept in sealed in the cool and well-ventilated place, away from the strong oxidizer.
The characteristics of [1,1'-Binaphthalene]-2,2'-diol,3,3'-dibromo-, (1R)- are as follows: (1)ACD/LogP: 6.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 25048; (6)ACD/BCF (pH 7.4): 2021; (7)ACD/KOC (pH 5.5): 47484; (8)ACD/KOC (pH 7.4): 3832; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.779; (14)Molar Refractivity: 105.673 cm3; (15)Molar Volume: 252.179 cm3; (16)Polarizability: 41.892×10-24cm3; (17)Surface Tension: 66.197 dyne/cm; (18)Density: 1.761 g/cm3; (19)Flash Point: 238.012 °C; (20)Enthalpy of Vaporization: 76.04 kJ/mol; (21)Boiling Point: 469.941 °C at 760 mmHg.
When you are dealing with this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, this chemical may cause damage to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Brc4cc1c(cccc1)c(c3c2c(cccc2)cc(Br)c3O)c4O
(2)InChI:InChI=1/C20H12Br2O2/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/h1-10,23-24H
(3)InChIKey:BRTBEAXHUYEXSY-UHFFFAOYAW
(4)Std. InChI:InChI=1S/C20H12Br2O2/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/h1-10,23-24H
(5)Std. InChIKey:BRTBEAXHUYEXSY-UHFFFAOYSA-N