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| CAS No.: | 203-42-9 |
|---|---|
| Name: | 1,8-DINAPHTHYLENETHIOPHENE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C24H12S |
| Molecular Weight: | 332.425 |
| Synonyms: | 2,3:4,5-Di(1,8-naphthylene)thiophene;NSC 4725; |
| EINECS: | 205-904-0 |
| Density: | 1.484 g/cm3 |
| Melting Point: | 278-280 °C |
| Boiling Point: | 577.9 °C at 760 mmHg |
| Flash Point: | 231 °C |
| PSA: | 28.24000 |
| LogP: | 7.34930 |
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Specification
This product is an organic compound with the formula C24H12S. The systematic name of this chemical is Diacenaphtho[1,2-b:1',2'-d]thiophene. With the CAS registry number 203-42-9, it is also named as 2,3:4,5-Di(1,8-naphthylene)thiophene. Its EINECS number is 205-904-0. In addition, the molecular weight is 332.42.
Physical properties of Diacenaphtho[1,2-b:1',2'-d]thiophene are: (1)ACD/LogP: 7.82; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 28.24 Å2; (7)Index of Refraction: 2.069; (8)Molar Refractivity: 117.06 cm3; (9)Molar Volume: 224 cm3; (10)Polarizability: 46.4×10-24cm3; (11)Surface Tension: 82.5 dyne/cm; (12)Density: 1.484 g/cm3; (13)Flash Point: 231 °C; (14)Enthalpy of Vaporization: 83.3 kJ/mol; (15)Boiling Point: 577.9 °C at 760 mmHg; (16)Vapour Pressure: 9.43E-13 mmHg at 25°C.
Preparation of Diacenaphtho[1,2-b:1',2'-d]thiophene: this chemical can be prepared by acenaphthylene at the ambient temperature. This reaction will need reagents carbon-sulfur electrode, 0.2 M nBu4NBF4, 0.1 M trichloroacetic acid and solvent CH2Cl2 with the reaction time of 2 hours. The yield is about 69%.
![Diacenaphtho[1,2-b:1',2'-d]thiophene can be prepared by acenaphthylene at the ambient temperature](/UserFilesUpload/Preparation of Diacenaphtho[1,2-b 1',2'-d]thiophene(1).jpg)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C3C(=C1)C4=C(C3=CC=C2)SC5=C4C6=CC=CC7=C6C5=CC=C7
(2)InChI: InChI=1S/C24H12S/c1-5-13-7-3-11-17-19(13)15(9-1)21-22-16-10-2-6-14-8-4-12-18(20(14)16)24(22)25-23(17)21/h1-12H
(3)InChIKey: RSYZJSLQEJIVSN-UHFFFAOYSA-N