Basic information
- Name:
[1,1'-Binaphthalene]-2,2'-diol,6,6'-dibromo-
- Superlist Name:
- 6,6'-Dibromo-1,1'-binaphthalene-2,2'-diol
- CAS No.:
13185-00-7
- Molecular Structure:
![Molecular Structure of 13185-00-7 ([1,1'-Binaphthalene]-2,2'-diol,6,6'-dibromo-)](http://www.lookchem.com/300w/2010/0618/13185-00-7.jpg)
- Formula:
- C20H12Br2O2
- Molecular Weight:
- 444.12
- 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 Description:
- 26-36 Details
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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'-binaphthalene-2,2'-diol. 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
