bis(4-tert-butylphenyl)iodanium nonafluorobutane-1-sulfonate

• ChemBase编号: 147817
• 分子式: C24H26F9IO3S
• 平均质量: 692.4165388
• 单一同位素质量: 692.05036767
• SMILES: CC(C)(C)c1ccc(cc1)[I+]c1ccc(cc1)C(C)(C)C.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F
• Canonical SMILES: FC(C(C(S(=O)(=O)[O-])(F)F)(F)F)(C(F)(F)F)F.CC(c1ccc(cc1)[I+]c1ccc(cc1)C(C)(C)C)(C)C
• InChI: InChI=1S/C20H26I.C4HF9O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h7-14H,1-6H3;(H,14,15,16)/q+1;/p-1
• InChIKey: DJBAOXYQCAKLPH-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: bis(4-tert-butylphenyl)iodanium nonafluorobutane-1-sulfonate
• IUPAC传统名: bis(4-tert-butylphenyl)iodanium nonafluorobutane-1-sulfonate
• 别名: 双(4-叔丁基苯基)碘鎓全氟-1-丁磺酸; Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate

登记号

• CAS号: 194999-85-4
• MDL号: MFCD02683473
• PubChem SID: 24877794; 162242000
• PubChem CID: 16216933

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.6535177
• LogD (pH = 7.4): 7.6535177
• Log P: 7.6535177
• 摩尔折射率: 102.2266 cm^3
• 极化性: 42.674107 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: ethyl lactate: ~55%; PGMEA: ~40%; γ-butyrolactone: ~65%
• 熔点: 175-177 °C(lit.)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99%
• 级别: electronic grade
• Total Acid: <2 × 10-3 mol/kg
• Total Base: <2 × 10-3 mol/kg
• 线性分子式: [(CH3)3CC6H4]2IC4F9SO3

详细说明

Sigma Aldrich - 531014

Application
阳离子光引发剂。光酸产生剂。
包装
1, 5 g in poly bottle