potassium cyclopentyltrifluoroboranuide

• ChemBase编号: 141081
• 分子式: C5H9BF3K
• 平均质量: 176.0294696
• 单一同位素质量: 176.03864703
• SMILES: [B-](C1CCCC1)(F)(F)F.[K+]
• Canonical SMILES: F[B-](C1CCCC1)(F)F.[K+]
• InChI: InChI=1S/C5H9BF3.K/c7-6(8,9)5-3-1-2-4-5;/h5H,1-4H2;/q-1;+1
• InChIKey: MUVSOIJDVXEYST-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: potassium cyclopentyltrifluoroboranuide
• IUPAC传统名: potassium cyclopentyltrifluoroboranuide
• 别名: 环戊烷三氟硼酸钾; Potassium cyclopentyltrifluoroborate

登记号

• MDL号: MFCD04112712
• PubChem SID: 24884195; 162235316
• PubChem CID: 23697339

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.9564
• LogD (pH = 7.4): 1.9564
• Log P: 1.9564
• 摩尔折射率: 26.182 cm^3
• 极化性: 10.8607435 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: >300 °C

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 1759
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 3

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C5H9BF3K

详细说明

Sigma Aldrich - 666017

包装
1, 5 g in glass bottle
Application
Organotrifluoroborate involved in:
• Direct alkylation of heteroaryls1
• Oxidation via Oxone2 or via copper(II) salts and Dess-Martin periodinane3
• Cross-coupling with aryl chlorides4
• Suzuki cross-coupling5Organotrifluoroborates as versatile and stable boronic acid surrogates.