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

• ChemBase编号: 12128
• 分子式: C32H12BF24Na
• 平均质量: 886.2001268
• 单一同位素质量: 886.05465235
• SMILES: c1([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(cc(c1)C(F)(F)F)C(F)(F)F.[Na+]
• 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.[Na+]
• InChI: InChI=1S/C32H12BF24.Na/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: LTGMONZOZHXAHO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
• IUPAC传统名: sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
• 别名: 四[3,5-双(三氟甲基)苯基]硼酸钠; 四(3,5-二(三氟甲基)苯基)硼酸钠; Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]-borate; Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; Benzene, 1,3-bis(trifluoromethyl)-, boron complex; NaBARF; Tetrakis[3,5-bis(trifluoromethyl)phenyl]boron sodium; Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate

登记号

• CAS号: 79060-88-1
• MDL号: MFCD00043323
• Beilstein号: 5474788
• PubChem SID: 160975435; 24886344
• PubChem CID: 23681909

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: 310(dec.)°C

安全信息

• 保存注意事项: IRRITANT; Irritant/Moisture Sensitive/Store under Argon
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 97%
• 级别: Selectophore™
• Empirical Formula (Hill Notation): C32H12BF24Na

详细说明

Apollo Scientific Ltd - PC1999

Kobayashi's Reagent

Sigma Aldrich - 692360

包装
1 g in glass bottle
250 mg in glass bottle

Sigma Aldrich - 72017

General description
可包含 1-5% 的水
请访问 传感器应用门户网站 了解更多信息。
Other Notes
用于溶剂聚合膜电极和光极的亲脂性添加剂1,2；用于溶剂萃取阳离子的高亲脂性物质,类似于四苯基硼酸盐3；阴离子相转移催化剂4,5
法律信息
Selectophore 商标 Sigma-Aldrich GmbH