2,9-디프로필-안트라2,1,9-def:6,5,10-d'e'f'디이소퀴놀린-1,3,8,10-테트론
2,9-디프로필-안트라2,1,9-def:6,5,10-d'e'f'디이소퀴놀린-1,3,8,10-테트론 · PDI-C3 · Bis(n-propylimido)perylene · Perylene-3,4,9,10-tetracarboxylic acid bis(propylimide) · 2,9-Dipropyl-anthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10-tetrone · 2,9-Dipropylanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)tetrone · Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dipropyl- · 2,9-Dipropylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)tetrone 97%
식별자 및 물리적 특성
| CAS No. | 59442-38-5 |
|---|---|
| 분자식 | C30H22N2O4 |
| 평균 분자량 | 474.5 g/mol |
| 단동위원소 질량 | 474.15795719 g/mol |
| SMILES | CCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCC)C5=O |
| InChIKey | GEIYCUVJOKJQPO-UHFFFAOYSA-N |
| PubChem CID | 15123746 |
| EC No. | 804-114-9 |
| 현지명 | 2,9-디프로필-안트라2,1,9-def:6,5,10-d'e'f'디이소퀴놀린-1,3,8,10-테트론 |
화학 및 물리적 성질
| XLogP | 5.5 |
|---|---|
| 극성 표면적 | 74.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 36 |
| 형식 전하 | 0 |
| 복잡도 | 847 |
| 녹는점 | >300°C |
| 물리적 상태 | solid |
| InChI | 1S/C30H22N2O4/c1-3-13-31-27(33)19-9-5-15-17-7-11-21-26-22(30(36)32(14-4-2)29(21)35)12-8-18(24(17)26)16-6-10-20(28(31)34)25(19)23(15)16/h5-12H,3-4,13-14H2,1-2H3 |
| InChIKey | GEIYCUVJOKJQPO-UHFFFAOYSA-N |
| SMILES | CCCN1C(=O)c2ccc3c4ccc5C(=O)N(CCC)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56 |
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)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
High electron transporting character; Perylenebis(dicarboximide)s (PDIs) can be used as air-stable n-type semiconductor materials for organic fieldeffect transistors (OFETs);Excellent candidates as electron accepting building blocks for organic photovoltaics (OPVs).
일반 설명
2,9-Dipropylanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)tetrone belongs to the class of perylenebis(dicarboximide) (PDI) that has an electron transporting character. It can be used as an air-stable n-type semiconductor material in organic field effect transistors. It can also be used as an acceptor molecule in organic photovoltaics.