2,2'-ビチオフェン

2,2'-Bithiophene

HCID 68120
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基本情報

CAS
492-97-7
標準SMILES
c1csc(-c2cccs2)c1
InChIKey
OHZAHWOAMVVGEL-UHFFFAOYSA-N
分子式
C8H6S2
平均分子量
166.3 g/mol
単同位体質量
165.99109219

概要

2,2'-bithiophene is a thiophene derivative that consists of two thiophene rings connected by a 2,2'-linkage.

名称と識別子

優先名称
2,2'-Bithiophene
IUPAC
2-thiophen-2-ylthiophene
現地名
2,2'-ビチオフェン
英語名
2,2'-BITHIOPHENE
分子式
C8H6S2
分子量
166.26

名称と別名

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
名称をさらに表示
2,2'-ビチオフェン2,2'-ビ(チオフェン)2,2'-ビチエニル2,2'-ビチオフェン 2,2'-ジチエニル2,2′-ビチオフェン2,2′‐ビチオフェン2T2THS10202,2-DITHIENYL2,2’-dlthienyl2,2'-Bithiophen
EINECS 207-767-2DTXSID8060084CHEBI:36821OHZAHWOAMVVGEL-UHFFFAOYSA-2,2'DithienylRefChem:80696DTXCID0040678207-767-2

データベース識別子

CAS
492-97-7
PubChem CID
68120
DTXSID
DTXSID8060084
ChEBI
CHEBI:36821
UNII
8CTS9HJ7L6
EC Number
207-767-2
Nikkaji
J100.273B

物性

構造計算による物性

XLogP
3
極性表面積
56.5 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
1
重原子数
10

実験および物理化学的性質

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]

物理化学的性質

融点
32 · 32-33 °C (lit.)
沸点
260 °C · 260 °C (lit.)
比重(密度)
1.2455 · 1.2455 (rough estimate)
屈折率
1.621 · 1.6210 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全データ

F
10-23
wgk
3
tsca
TSCA listed
hs_code
29309090
risk_code
20/21/22-36/37/38
hazard_code
Xi,Xn

化学と産業

用途と製造

General Manufacturing Information2,2'-Bithiophene: ACTIVE
応用分野 · 4 件

用途有機合成用試薬。

説明2,2'-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.

使用2,2'-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.

一般的な説明2,2′-Bithiophene is an electron transporting material with the π-electrons present in the system that facilitate charge mobility.

上流・下流製品情報

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

補足説明

定義ChEBI: A thiophene derivative that consists of two thiophene rings connected by a 2,2'-linkage.

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