2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline

• ChemBase编号: 103046
• 分子式: C26H20N2
• 平均质量: 360.4504
• 单一同位素质量: 360.16264865
• SMILES: Cc1nc2c3nc(C)cc(c4ccccc4)c3ccc2c(c1)c1ccccc1
• Canonical SMILES: Cc1cc(c2ccccc2)c2c(n1)c1nc(C)cc(c1cc2)c1ccccc1
• InChI: InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3
• InChIKey: STTGYIUESPWXOW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
• IUPAC传统名: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
• 别名: 2,9-二甲基-4,7-二苯基-1,10-菲咯啉; 浴铜灵; 2,9-二甲基-4,7-二苯基-1,10-菲啰啉; BCP; Bathocuproine; Bathocuproin; 2,9-DiMethyl-4,7-diphenyl-1,10-phenanthroline; 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline; BATHOCUPROINE

登记号

• CAS号: 4733-39-5
• EC号: 225-240-5
• MDL号: MFCD00004972
• Beilstein号: 306714
• PubChem SID: 24848482; 162090668
• PubChem CID: 65149

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.550333
• LogD (pH = 7.4): 5.8403707
• Log P: 5.845746
• 摩尔折射率: 113.356 cm^3
• 极化性: 49.574047 Å^3
• 极化表面积: 25.78 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 279 - 283°C; 279-283 °C(lit.); 279-285°C; 285 °C (DSC)
• 紫外吸收波长: λmax 277 nm; λmax 280 nm in methanol
• 荧光: λem 386 nm in THF
• 轨道能量: HOMO 7 eV; LUMO 3.5 eV

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H413
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 纯度: 96%; 98%; 99.99% trace metals basis
• 级别: sublimed grade
• OLED Device Performance: ITO/CuPc/NPD/TCTA/mCP:Firpic (6%)/BCP/LiF/Al1• Color: blue• Max. EQE: 4.2 %; ITO/CuPc/NPD/TCTA/mCP:FIrpic (6%)/BCP/LiF/Al1• Color: blue• Max. EQE: 4.2 %; ITO/NPD/CBP:Ir(ppy)3/BCP/Alq3/Mg:Al2• Color: green• Max. Luminance: 100000 Cd/m2• Max. EQE: 8 %• Turn-On Voltage: 4.3 V; ITO/NPD/TCTA/BCPO:Ir(piq)3 (7-8%)/BCP/Alq3/LiF/Al3• Color: red• Max. Luminance: 24529 Cd/m2• Max. EQE: 17 %• Turn-On Voltage: 2.7 V; ITO/NPD/TCTA/BCPO:Ir(ppy)3 (7-8%)/BCP/Alq3/LiF/Al3• Color: green• Max. Luminance: 207839 Cd/m2• Max. EQE: 21.6 %• Turn-On Voltage: 2.1 V
• Empirical Formula (Hill Notation): C26H20N2

详细说明

MP Biomedicals - 05204155

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150424

Crystalline

Sigma Aldrich - 699152

Application
可用作 OLED 电子传输层和空穴阻挡层的有机电子材料。
General description
根据要求可进行 TGA/DSC 指定批次追溯
包装
5 g in glass bottle
500 mg in glass bottle

Sigma Aldrich - 140910

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

参考文献

• Reagent for the determination of copper: Anal. Chem., 25, 510 (1953).