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149821-06-7

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Basic Information
CAS No.: 149821-06-7
Name: (S)-(-)-3,3'-DIBROMO-1,1'-BI-2-NAPHTHOL
Article Data: 4
Molecular Structure:
Molecular Structure of 149821-06-7 ((S)-(-)-3,3'-DIBROMO-1,1'-BI-2-NAPHTHOL)
Formula: C20H12Br2O2
Molecular Weight: 444.122
Synonyms: (S)-3,3'-Dibromo-1,1'-bi-2-naphthol;3,3'-Dibromo-1,1'-binaphthalene-2,2'-diol;(R)-3,3'-Dibromo-1,1'-bi-2-naphthol;(S)-(-)-3,3'-Dibromo-1,1'-bi-2-naphthol;(S)-(+)-3,3'-Dibromo-1,1'-bi-2-naphthol;
Density: 1.761 g/cm3
Melting Point: 256-260 °C
Boiling Point: 469.941 °C at 760 mmHg
Flash Point: 238.012 °C
PSA: 40.46000
LogP: 6.59620
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Specification

This chemical is called [1,1'-Binaphthalene]-2,2'-diol,3,3'-dibromo-, and it can also be named as (S)-3,3'-Dibromo-1,1'-bi-2-naphthol. With the molecular formula of C20H12Br2O2, its molecular weight is 444.12. The CAS registry number of this chemical is 149821-06-7, and its systematic name is 3,3'-Dibromo-1,1'-binaphthalene-2,2'-diol. 

Other characteristics of the [1,1'-Binaphthalene]-2,2'-diol,3,3'-dibromo- can be summarised as followings: (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: 41.892×10-24 cm3; (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; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into 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