potassium trifluoro(prop-2-en-1-yl)boranuide

• ChemBase编号: 97654
• 分子式: C3H5BF3K
• 平均质量: 147.9763096
• 单一同位素质量: 148.0073469
• SMILES: [K+].F[B-](F)(F)CC=C
• Canonical SMILES: F[B-](CC=C)(F)F.[K+]
• InChI: InChI=1S/C3H5BF3.K/c1-2-3-4(5,6)7;/h2H,1,3H2;/q-1;+1
• InChIKey: TVPZAMJXLCDMIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: potassium trifluoro(prop-2-en-1-yl)boranuide
• IUPAC传统名: potassium trifluoro(prop-2-en-1-yl)boranuide; potassium ion trifluoro(prop-2-en-1-yl)boranuide
• 别名: 烯丙基三氟硼酸钾; Potassium trifluoro(prop-2-enyl)borate; Potassium allyltrifluoroborate; Potassium trifluoro(prop-1-en-2-yl)borate; Potassium (prop-2-en-1-yl)trifluoroborate; Potassium allyltrifluoroborate

登记号

• CAS号: 233664-53-4; 395083-14-4
• MDL号: MFCD07368222
• PubChem SID: 24884410; 162084239
• PubChem CID: 23664277

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.2494
• LogD (pH = 7.4): 1.2494
• Log P: 1.2494
• 摩尔折射率: 19.1157 cm^3
• 极化性: 7.728341 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: >300 °C; >300°C

安全信息

• 保存注意事项: Irritant/Moisture Sensitive/Store under Argon
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 37/38-41
• 安全公开号: 26-36/39
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H315-H318-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 95%; 95+%
• Empirical Formula (Hill Notation): C3H5BF3K

详细说明

Sigma Aldrich - 659274

包装
1 g in poly bottle
Application
Organotrifluoroborate involved in:
• Catalytic allylboration1
• Stereoselective nucleophilic addition2
• Pd-catalyzed heterocyclizations3
• Oxidation reactions4 and Oxidative Mannich reactions5
• Cross-coupling reactions6Organotrifluoroborates as versatile and stable boronic acid surrogates.
Protocols & Applications
Suzuki Cross-Coupling using Organotrifluoroborates as Potent Boronic Acid Surrogates