potassium tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

• ChemBase编号: 158033
• 分子式: C32H12BF24K
• 平均质量: 902.3086568
• 单一同位素质量: 902.02858974
• SMILES: [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.[K+]
• Canonical SMILES: FC(c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F.[K+]
• InChI: InChI=1S/C32H12BF24.K/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1
• InChIKey: DGEVYOMQOPNBCY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: potassium tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
• IUPAC传统名: potassium tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
• 别名: 四[3,5-二(三氟甲基)苯基]硼酸钾; KTFPB; Tetrakis[3,5-bis(trifluoromethyl)phenyl]boron potassium; Potassium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate

登记号

• CAS号: 105560-52-9
• MDL号: MFCD00077934
• Beilstein号: 8893801
• PubChem SID: 24881921; 162252169
• PubChem CID: 23694899

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 12.9712
• LogD (pH = 7.4): 12.9712
• Log P: 12.9712
• 摩尔折射率: 149.6868 cm^3
• 极化性: 52.99005 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 126-129 °C

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

• 级别: Selectophore™
• Empirical Formula (Hill Notation): C32H12BF24K

详细说明

Sigma Aldrich - 60588

General description
请访问 传感器应用门户网站 了解更多信息。
法律信息
Selectophore 商标 Sigma-Aldrich GmbH