potassium trifluoro(methyl)boranuide

• ChemBase编号: 98002
• 分子式: CH3BF3K
• 平均质量: 121.9390296
• 单一同位素质量: 121.99169684
• SMILES: [B-](F)(F)(C)F.[K+]
• Canonical SMILES: C[B-](F)(F)F.[K+]
• InChI: InChI=1S/CH3BF3.K/c1-2(3,4)5;/h1H3;/q-1;+1
• InChIKey: XMQFVHVGFQJMFF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: potassium trifluoro(methyl)boranuide
• IUPAC传统名: potassium ion trifluoro(methyl)boranuide; potassium trifluoro(methyl)boranuide
• 别名: 甲基三氟硼酸钾; Potassium methyltrifluoroborate; Potassium methyltrifluoroborate

登记号

• CAS号: 13862-28-7
• MDL号: MFCD08276757
• PubChem SID: 162084476; 24882895
• PubChem CID: 23692566

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.5392
• LogD (pH = 7.4): 0.5392
• Log P: 0.5392
• 摩尔折射率: 9.8292 cm^3
• 极化性: 4.5434866 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 168-183 °C; 168-183°C

安全信息

• 保存注意事项: Irritant
• 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

• 杂质: ≤2 mol water
• Empirical Formula (Hill Notation): CH3BF3K

详细说明

Sigma Aldrich - 637890

包装
1, 5 g in glass bottle
Application
Reactant for:
• Preparation of modified purines via palladium-catalyzed cross-coupling reactions with halopurines1
• Suzuki-Miyaura cross-coupling reactions with aryl chlorides2
Protocols & Applications
Suzuki Cross-Coupling using Organotrifluoroborates as Potent Boronic Acid Surrogates