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

• ChemBase编号: 94417
• 分子式: C8H3BF9K
• 平均质量: 320.0043488
• 单一同位素质量: 319.98211616
• SMILES: [K+].[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)(F)F
• Canonical SMILES: F[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F.[K+]
• InChI: InChI=1S/C8H3BF9.K/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18;/h1-3H;/q-1;+1
• InChIKey: WCHMTVMZBOZGCS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: potassium [3,5-bis(trifluoromethyl)phenyl]trifluoroboranuide
• IUPAC传统名: potassium ion [3,5-bis(trifluoromethyl)phenyl]trifluoroboranuide; potassium [3,5-bis(trifluoromethyl)phenyl]trifluoroboranuide
• 别名: 3,5-双(三氟甲基)苯基三氟硼酸钾; Potassium 3,5-bis(trifluoromethyl)phenytrifluoroborate; Potassium [3,5-bis(trifluoromethyl)phenyl]trifluoroborate 96%; Potassium 3,5-bis(trifluoromethyl)phenyltrifluoroborate

登记号

• CAS号: 166328-09-2
• MDL号: MFCD03701625
• PubChem SID: 162081071; 24874749
• PubChem CID: 23668091

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.8953
• LogD (pH = 7.4): 3.8953
• Log P: 3.8953
• 摩尔折射率: 41.9256 cm^3
• 极化性: 15.407273 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: >300°C

安全信息

• 保存注意事项: Irritant
• 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: 26-36; 26-37-60
• TSCA收录: 否
• 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 96%
• 线性分子式: (CF3)2C6H3BF3K

详细说明

Sigma Aldrich - 571563

包装
1 g in poly bottle
Protocols & Applications
Suzuki Cross-Coupling using Organotrifluoroborates as Potent Boronic Acid Surrogates