2,2'-Bithiophene
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기본 정보
- CAS
492-97-7- 표준 SMILES
c1csc(-c2cccs2)c1- InChIKey
OHZAHWOAMVVGEL-UHFFFAOYSA-N- 분자식
- C8H6S2
- 평균 분자량
- 166.3 g/mol
- 단동위원소 질량
- 165.99109219
개요
2,2'-bithiophene is a thiophene derivative that consists of two thiophene rings connected by a 2,2'-linkage.
이름 및 식별자
- 우선 이름
- 2,2'-Bithiophene
- IUPAC
- 2-thiophen-2-ylthiophene
- 영어명
- 2,2'-Bithiophene
- 분자식
- C8H6S2
- 분자량
- 166.26
이름 및 동의어
2,2'-Bithiophene492-97-72,2'-BithienylDithienyl2-thiophen-2-ylthiophene2,2'-Dithienyl2,2'-Dithiophene2-(thiophen-2-yl)thiophenealpha-bithiophene2-(thien-2-yl)thiophene8CTS9HJ7L62,2'-bisthiophene
이름 더 보기
2T2THS10202,2-DITHIENYL2,2’-dlthienyl2,2'-Bithiophen
EINECS 207-767-2DTXSID8060084CHEBI:36821OHZAHWOAMVVGEL-UHFFFAOYSA-2,2'DithienylRefChem:80696DTXCID0040678207-767-2
데이터베이스 식별자
- CAS
492-97-7- PubChem CID
- 68120
- DTXSID
DTXSID8060084- ChEBI
CHEBI:36821- UNII
- 8CTS9HJ7L6
- EC Number
- 207-767-2
- Nikkaji
- J100.273B
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 56.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 99.8
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Thiophenes
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SpringerMaterials PropertiesSchoenflies notation
LogP3.75
Vapor Pressure0.00119 [mmHg]
Physical DescriptionMelting point = 33 deg C; [ChemIDplus] Clear yellow to liquid; mp = 32-34 deg C; [Aldrich MSDS]
물리화학적 성질
- 녹는점
- 31.1 °C · 31.1 °C (88.0 °F; 304.2 K)
- 끓는 점
- 260 °C · 260 °C (500 °F; 533 K)
- 밀도
- 1.44 g/cm3 · 1.44 g/cm3
- 굴절률
- 1.621 · 1.6210 (estimate)
- 인화점
- 110 °C · 110 °C - closed cup
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 물리적 상태
- crystals
- 색상
- Colorless
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Warning
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryMay cause irritation; Not considered a dangerous material by the Globally Harmonized System (GHS); [Aldrich MSDS] See Thiophene.
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2930909099
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi,Xn
- safety_code
- 22-24/25-36-26
- 위험 등급
- IRRITANT
- F 고인화성물질
- 10-23
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information2,2'-Bithiophene: ACTIVE
응용 분야
개요2,2'-bithiophene is an intermediate widely used for the synthesis of small molecules or polymer semiconductors in application of organic electronics.It has proven that2,2'-bithiophene exists as a mixture of the cis-like and the trans-like planar structures. 5,5'-positions of2,2'-bithiophene are easily accessible for bromination and stannylation to give 5,5'-dibromo-2,2'-bithiophene or 5,5'-trimethylstannyl-2,2'-bithiophene, which can be used for direct arylation reactions.
용도2,2'-Bithiophene is used as a precursor in the preparation of 5,5'-bis(trimethylstannyl)-2,2'-bithiophene , which is used for the synthesis of small molecules and polymer semiconductors for organic field-effect transistor (OFETs), organic light-emitting diode (OLED), Plastic Light Emitting Diode (PLED) and Organic Photovoltaic (OPV) applications. It is associated with aryl iodides and involved in rhodium catalyzed arylation of heteroarenes.
일반 설명2,2′-Bithiophene is an electron transporting material with the π-electrons present in the system that facilitate charge mobility.
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