3,4-디티아-7H-시클로펜타[a]펜탈렌
3,4-디티아-7H-시클로펜타[a]펜탈렌 · 4H-Cyclopenta[2,1-b:3,4-b']dithiophene · 4H-cyclopenta[1,2-b:5,4-b']dithiophene · DTCPP · S1371 · (389-58-2) · 3,4-b']dithiophene · 4H-Cyclopenta[2,1-b
![3,4-디티아-7H-시클로펜타[a]펜탈렌 분자 구조식](/img/chemical/136232.png)
식별자 및 물리적 특성
| CAS No. | 389-58-2 |
|---|---|
| 분자식 | C9H6S2 |
| 평균 분자량 | 178.3 g/mol |
| 단동위원소 질량 | 177.99109254 g/mol |
| SMILES | c1cc2c(s1)-c1sccc1C2 |
| InChIKey | UITASDKJJNYORO-UHFFFAOYSA-N |
| PubChem CID | 136232 |
| EC No. | 875-138-5 |
| DTXSID | DTXSID90192145 |
| 현지명 | 3,4-디티아-7H-시클로펜타[a]펜탈렌 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 56.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 151 |
| SpringerMaterials Properties | Crystal structure |
| 녹는점 | 71.0 to 75.0 °C |
| 끓는 점 | 307.8±22.0 °C(Predicted) |
| 밀도 | 1.400 |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| 용해도 | 톨루엔에 용해됨 |
| 물리적 상태 | powder to crystal |
| 색상 | White to Light yellow to Dark green |
| InChI | InChI=1S/C9H6S2/c1-3-10-8-6(1)5-7-2-4-11-9(7)8/h1-4H,5H2 |
| InChIKey | UITASDKJJNYORO-UHFFFAOYSA-N |
| SMILES | C12C3SC=CC=3CC=1C=CS2 |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| 관세 코드 | 2934.99.4400 |
용도
개요
4H-cyclopenta[2,1-b:3,4-b′]dithiophene, also known as CPDT, a rigid coplanar structure favouring ππ intermolecular interactions with good electron-donating properties, has been one of the most attractive building blocks for organic field effect transistors and organic electronics. The five-member ring in the middle also offer the function to have side-chain manipulation to enhance solubility in solutions for device fabrications, morphology and polymer processing. One of the intensively studied polymer for organic electrons, PCPDTBT, with the alternating CPDT and 2,1,3- benzothiadiazole (BT) units, has demonstrated device performance of PCE over 6% [5]
용도
4H-Cyclopenta[2,1-b:3,4-b'']dithiophene is useful in the synthesis of donor-acceptor copolymers.