벤조[1,2-b:4,5-b']디티오펜-4,8-디온

(Benzo(1,2-b:4,5-b)dithiophene-4,8-dione)

HCID 288478CAS 32281-36-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1c2ccsc2C(=O)c2ccsc21
InChIKey: SIUXRPJYVQQBAF-UHFFFAOYSA-N
분자식: C10H4O2S2
평균 분자량: 220.3 g/mol
단동위원소 질량: 219.96527137

이름 및 식별자

우선 이름: (Benzo(1,2-b:4,5-b)dithiophene-4,8-dione)
IUPAC: thieno[2,3-f][1]benzothiole-4,8-dione
현지명: 벤조[1,2-b:4,5-b']디티오펜-4,8-디온
영어명: Benzo[1,2-b:4,5-b']dithiophene-4,8-dione
분자식: C10H4O2S2
분자량: 220.27

이름 및 동의어

benzo[1,2-b:4,5-b']dithiophene-4,8-dione32281-36-0(Benzo(1,2-b:4,5-b)dithiophene-4,8-dione)NSC 149690G1C271HP09NSC-149690UNII-G1C271HP09DTXSID00186030{Benzo[1,2-b:4,5-b]dithiophene-4,8-dione}BENZO(1,2-B:4,5-B')DITHIOPHENE-4,8-DIONE4,8-DIHYDROBENZO(1,2-B:4,5-B')DITHIOPHENE-4,8-DIONE4,10-dithiatricyclo[7.3.0.0^3,7^]dodeca-1(9),3(7),5,11-tetraene-2,8-dione

이름 더 보기

벤조[1,2-b:4,5-b']디티오펜-4,8-디온BDTONAILNmrkLy-90SLAMF44,5-b']dithiophene-4,8-dione

4,8-Dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione4,10-dithiatricyclo(7.3.0.0^3,7^)dodeca-1(9),3(7),5,11-tetraene-2,8-dioneRefChem:69873DTXCID10108521thieno[2,3-f][1]benzothiole-4,8-dioneMFCD01927240thieno[2,3-f]benzothiophene-4,8-dioneNSC149690

데이터베이스 식별자

CAS: 32281-36-0
PubChem CID: 288478
DTXSID: DTXSID00186030
ChEMBL: CHEMBL358186
UNII: G1C271HP09
Nikkaji: J633.591H

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 90.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 272

물리화학적 성질

녹는점: 260 · 260-262℃
끓는 점: 408 · 408.0±35.0 °C(Predicted)
밀도: 1.595 · 1.595
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: White to Amber to Dark green
InChI: InChI=1S/C10H4O2S2/c11-7-5-1-3-13-9(5)8(12)6-2-4-14-10(6)7/h1-4H
InChIKey: SIUXRPJYVQQBAF-UHFFFAOYSA-N
SMILES: C12C(=O)C3C=CSC=3C(=O)C=1C=CS2

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29349990
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요Benzo[1,2-b:4,5-b’]dithiophene is a planar symmetrical molecular structure of the thiophene derivative, enabling a better π-πstacking and good electron delocalization that encourages charge transport. In recent years, it has been intensively studied for the application of OFETs and OPVs. The incorporation of a low-band-gap unit into the benzo[1,2-b:4,5-b’]dithiophene unit could potentially result in a red-shifted absorption due to its electron-rich properties. Benzo[1,2-b:4,5-b’]dithiophene can be chemically modified to fine-tune its chemical structure and electron properties (e.g. band gap), energy levels, and charge mobility of the small molecule/polymers of interest (at a molecular level).

용도suzuki reaction

일반 설명Benzo[1,2-b:4,5-b′]dithiophene-4,8-dione (BDTD) is a conductive polymer with a symmetric and planar conjugated structure which has a hole mobility of 0.25 cm2V-1s-1.