potassium cyclopropyltrifluoroboranuide

• ChemBase编号: 97997
• 分子式: C3H5BF3K
• 平均质量: 147.9763096
• 单一同位素质量: 148.0073469
• SMILES: [B-](C1CC1)(F)(F)F.[K+]
• Canonical SMILES: F[B-](C1CC1)(F)F.[K+]
• InChI: InChI=1S/C3H5BF3.K/c5-4(6,7)3-1-2-3;/h3H,1-2H2;/q-1;+1
• InChIKey: CFMLURFHOSOXRC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: potassium cyclopropyltrifluoroboranuide
• IUPAC传统名: potassium ion cyclopropyltrifluoroboranuide; potassium cyclopropyltrifluoroboranuide
• 别名: 环丙基三氟硼酸钾; Cyclopropyltrifluoroboric acid potassium salt; Potassium cyclopropyltrifluoroborate; Potassium cyclopropyltrifluoroborate

登记号

• CAS号: 1065010-87-8
• MDL号: MFCD09265031
• PubChem SID: 24884175; 162084471
• PubChem CID: 23697338

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.1638
• LogD (pH = 7.4): 1.1638
• Log P: 1.1638
• 摩尔折射率: 16.98 cm^3
• 极化性: 7.331695 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 348-350 °C; 348-350°C

安全信息

• 保存注意事项: Air Sensitive; Harmful/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: 26-37-60
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C3H5BF3K

详细说明

Sigma Aldrich - 662984

General description
May contain 5-10% cyclopropylboronic acid
包装
1, 5 g in glass bottle
Application
Organotrifluoroborate involved in Suzuki-Miyaura cross-coupling reactions1,2,3,4,5,6Organotrifluoroborates as versatile and stable boronic acid surrogates.
Protocols & Applications
Cross-Coupling with Potassium Cyclopropyltrifluoroborate