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| CAS No.: | 18657-57-3 |
|---|---|
| Name: | 1,2-Bis(3-indenyl)ethane |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C20H18 |
| Molecular Weight: | 258.363 |
| Synonyms: | Ethane,1,2-diinden-3-yl- (8CI);1,2-Bis(3-indenyl)ethane;3,3'-(1,2-Ethanediyl)bis[1H-indene];Diindenylethylene; |
| Density: | 1.107 g/cm3 |
| Melting Point: | 121-125 °C(lit.) |
| Boiling Point: | 416.1 °C at 760 mmHg |
| Flash Point: | 228 °C |
| Appearance: | Yellow crystalline powder |
| PSA: | 0.00000 |
| LogP: | 5.04600 |
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Specification
The 1H-Indene,3,3'-(1,2-ethanediyl)bis-, with the CAS registry number 18657-57-3, is also known as 1,2-Bis(3-indenyl)ethane. It belongs to the product categories of Arenes; Building Blocks; Organic Building Blocks. This chemical's molecular formula is C20H18 and molecular weight is 258.36. Its IUPAC name is called 3-[2-(3H-inden-1-yl)ethyl]-1H-indene. This chemical is yellow crystalline powder.
Physical properties of 1H-Indene,3,3'-(1,2-ethanediyl)bis-: (1)ACD/LogP: 6.33; (2)# of Rule of 5 Violations: 1; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.633; (5)Molar Refractivity: 83.39 cm3; (6)Molar Volume: 233.2 cm3; (7)Surface Tension: 44.7 dyne/cm; (8)Density: 1.107 g/cm3; (9)Flash Point: 228 °C; (10)Enthalpy of Vaporization: 64.34 kJ/mol; (11)Boiling Point: 416.1 °C at 760 mmHg; (12)Vapour Pressure: 9.43E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,2-dibromo-ethane and indene. This reaction will need reagent n-butyllithium, HMPA and solvent tetrahydrofuran, hexane. The yield is about 65%.
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Uses of 1H-Indene,3,3'-(1,2-ethanediyl)bis-: it can be used to produce bis(3-(1-para-fluoro benzyl)indenyl)ethane at temperature of 0 °C. This reaction will need reagent n-butyllithium and solvent diethyl ether, hexane with reaction time of 2 hours. The yield is about 41.4%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C=C(C2=CC=CC=C21)CCC3=CCC4=CC=CC=C43
(2)InChI: InChI=1S/C20H18/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,11-12H,9-10,13-14H2
(3)InChIKey: CQAQBIQKEFJNRZ-UHFFFAOYSA-N