기본 정보
- CAS
104934-52-3- 표준 SMILES
CCCCCCCCCCCCc1ccsc1- InChIKey
RFKWIEFTBMACPZ-UHFFFAOYSA-N- 분자식
- C16H28S
- 평균 분자량
- 252.5 g/mol
- 단동위원소 질량
- 252.1911719
개요
See also: 3-(Dodec-1-yl)thiophene (annotation moved to).
이름 및 식별자
- 우선 이름
- 3-Dodecylthiophene
- IUPAC
- 3-dodecylthiophene
- 영어명
- 3-DODECYLTHIOPHENE
- 분자식
- C16H28S
- 분자량
- 252.46
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
104934-52-3- PubChem CID
- 2733655
- DTXSID
DTXSID40369961- Nikkaji
- J256.499H
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 28.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 156
물리화학적 성질
- 녹는점
- -0.15 °C · -0.15°C (estimate)
- 끓는 점
- 290 °C · 290 °C (lit.)
- 밀도
- 0.902 g/mL · 0.902 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.488(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- InChI
- InChI=1S/C16H28S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h13-15H,2-12H2,1H3
- InChIKey
- RFKWIEFTBMACPZ-UHFFFAOYSA-N
- SMILES
- C1SC=CC=1CCCCCCCCCCCC
화학적 성질
clear colorless to yellow liquid
안전 및 규제
안전 데이터
- wgk
- 3
- HS 번호
- 29339900
- safety_code
- 24/25
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도3-Dodecylthiophene is a reactant used to make semiconducting copolymers.
일반 설명3-Dodecylthiophene (3-DT) is a conjugating monomer that can be used as an active layer on semiconductors. It has good electronic properties and can be used in the development of p-type semiconducting polymers. It is mainly used in the formation of poly(3-dodecylthiophene) (P3DT) through electrochemical polymerization. P3DT can further be utilized for a variety of organic electronic based applications.
제조 방법
3-Dodecylthiophene can be prepared from 3-bromothiophene and halogenated hydrocarbons in one step. Steps: Under N2 atmosphere, slowly add 1-bromododecane (28.75g, 26.9 mL) to a 250mL three-necked flask containing a mixture of magnesium chips (3.28g, 0.135mol), anhydrous THF (30mL) and a small amount of iodine. mL, 0.13 mol) in dry THF (45 mL). After the mixture was refluxed at 70 °C for 2 hours, the system was cooled to room temperature with ice water, Ni(dppp)Cl2 (0.54 g, 1.00 mmol) was added first, and then 3-bromothiophene (16.31 g, 0.10 mol) was added slowly. Anhydrous THF (40 mL) solution. The mixed solution was stirred at room temperature overnight, and cold aqueous HCl (1.50 mol/L) was added to quench the reaction. The crude product was extracted with dichloromethane, dried over anhydrous magnesium sulfate, and further purified by column separation purification (n-hexane as eluent), resulting in a clear liquid (22.18 g, yield=88%).
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