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Diacenaphtho[1,2-b:1',2'-d]thiophene

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Name

Diacenaphtho[1,2-b:1',2'-d]thiophene

EINECS 205-904-0
CAS No. 203-42-9 Density 1.484 g/cm3
PSA 28.24000 LogP 7.34930
Solubility N/A Melting Point 278-280 °C
Formula C24H12S Boiling Point 577.9 °C at 760 mmHg
Molecular Weight 332.425 Flash Point 231 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 203-42-9 (1,8-DINAPHTHYLENETHIOPHENE) Hazard Symbols N/A
Synonyms

2,3:4,5-Di(1,8-naphthylene)thiophene;NSC 4725;

Article Data 9

Diacenaphtho[1,2-b:1',2'-d]thiophene 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

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

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