pentacene

• ChemBase编号: 128854
• 分子式: C22H14
• 平均质量: 278.34656
• 单一同位素质量: 278.10955045
• SMILES: c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1
• Canonical SMILES: c1ccc2c(c1)cc1c(c2)cc2c(c1)cc1c(c2)cccc1
• InChI: InChI=1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H
• InChIKey: SLIUAWYAILUBJU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentacene
• IUPAC传统名: pentacene
• 别名: 并五苯; Pentacene; Pentacene

登记号

• CAS号: 135-48-8
• EC号: 205-193-7
• MDL号: MFCD00003710
• Beilstein号: 1912418
• PubChem SID: 24869414; 24898247; 162223157; 24886995
• PubChem CID: 8671
• CHEBI ID: 33148
• Chemspider ID: 8347
• 维基百科标题: Pentacene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.931153
• LogD (pH = 7.4): 5.931153
• Log P: 5.931153
• 摩尔折射率: 91.8588 cm^3
• 极化性: 41.179665 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: organic solvents: slightly soluble ((lit))
• 外观: Dark powder
• 熔点: > 300 °C; sublimes at 372 °C; 372-374 °C (subl.)
• 密度: 1.3 g/cm^3
• 轨道能量: HOMO 5 eV; LUMO 3 eV
• 半导体性质: P-type (mobility=0.4-3 cm2/V·s); P-type (mobility=0.4-3 cm2/V·s) (on/off ratio=1E5-1E8)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99.9% trace metals basis; ≥99.995% trace metals basis; 99%
• 级别: analytical standard, for environmental analysis; for fluorescence; purum; sublimed grade; triple-sublimed grade
• OPV Device Performance: ITO/pentacene/C60/BCP/Al1• Short-circuit current density (Jsc): 15 mA/cm2• Open-circuit voltage (Voc): 0.36 V• Fill Factor (FF): 0.5• Power Conversion Efficiency (PCE): 2.7 %
• Empirical Formula (Hill Notation): C22H14

详细说明

Sigma Aldrich - 684848

General description
根据要求可进行 TGA/DSC 指定批次追溯
包装
1 g in glass bottle
Protocols & Applications
Thin Film Transistor Device Preparation and Performance using Triple-Sublimed Pentacene

Sigma Aldrich - 698423

Application
p 型有机导体。用于有机电子器件应用的三次升华级。
General description
根据要求可进行 TGA/DSC 指定批次追溯
包装
500 mg in glass bottle
Protocols & Applications
Thin Film Transistor Device Preparation and Performance using Triple-Sublimed Pentacene

Sigma Aldrich - P1802

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
包装
1, 5 g in glass bottle
100 mg in glass bottle