2-(thiophen-2-yl)thiophene

• ChemBase编号: 8514
• 分子式: C8H6S2
• 平均质量: 166.26324
• 单一同位素质量: 165.99109219
• SMILES: c1cc(sc1)c1sccc1
• Canonical SMILES: c1csc(c1)c1cccs1
• InChI: InChI=1S/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H
• InChIKey: OHZAHWOAMVVGEL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(thiophen-2-yl)thiophene
• IUPAC传统名: 2,2'-bithiophene
• 别名: 2,2'-二噻吩; 2,2'-联噻吩; 联二噻吩; 2,2'-二噻吩; 2,2′-Bithienyl; 2,2′-Dithienyl; 2,2′-Bithiophene; 2,2-Bithiophene; 2,2'-Bithiophene; 2,2'-Bithienyl; 2,2'-Dithienyl; 2,2'-Bithiophene

登记号

• CAS号: 492-97-7
• EC号: 207-767-2
• MDL号: MFCD00005414
• Beilstein号: 3039
• PubChem SID: 24849247; 24854316; 160971821
• PubChem CID: 68120

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.1747673
• LogD (pH = 7.4): 3.1747673
• Log P: 3.1747673
• 摩尔折射率: 44.974 cm^3
• 极化性: 18.601217 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 30-33°C; 32-33 °C(lit.); 32-33°C; 32-34 °C
• 沸点: 260 °C(lit.); 260°C; 260°C
• 闪点: >110°C(230°F); 110 °C; 110°C; 230 °F

安全信息

• 保存注意事项: IRRITANT; Irritant; Light Sensitive
• 德国WGK号: 3
• TSCA收录: true; 是
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

产品相关信息

• 纯度: ≥97.0% (GC); 97%; 98%
• 级别: purum
• Empirical Formula (Hill Notation): C8H6S2

详细说明

Sigma Aldrich - 241636

Application
用作杂芳烃与芳基碘化物进行铑催化 C-H 芳基化反应的底物。1
包装
10 g in glass bottle

参考文献

• Can be converted to its 5-lithio- and 5,5'-dilithio derivatives by PhLi and n-BuLi respectively. Chemistry of this type has found applications in synthesis of: liquid crystal molecules: Mol. Cryst. Liq. Cryst. Sci. Technol. Sect. A, 218, 113 (1992); bithienoquinoid compounds as electron donors for organic conductors: Tetrahedron Lett., 33, 5405 (1992); conjugated thiophene oligomers as organic semiconductors: J. Am. Chem. Soc., 115, 8716 (1993); polythiophenes as conducting polymers: Synth. Met., 55, 420 (1993).