potassium trifluoro(naphthalen-2-yl)boranuide

• ChemBase编号: 94539
• 分子式: C10H7BF3K
• 平均质量: 234.0670896
• 单一同位素质量: 234.02299696
• SMILES: [K+].[B-](c1ccc2c(c1)cccc2)(F)(F)F
• Canonical SMILES: F[B-](c1ccc2c(c1)cccc2)(F)F.[K+]
• InChI: InChI=1S/C10H7BF3.K/c12-11(13,14)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H;/q-1;+1
• InChIKey: FXRJHJJHIOIXKE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: potassium trifluoro(naphthalen-2-yl)boranuide
• IUPAC传统名: potassium trifluoro(naphthalen-2-yl)boranuide; potassium ion trifluoro(naphthalen-2-yl)boranuide
• 别名: 2-萘三氟硼酸钾; Potassium trifluoro(2-naphthyl)borate; Potassium trifluoro(naphthalen-2-yl)borate; Potassium 2-naphthalenetrifluoroborate; Potassium (2-naphthalene)trifluoroborate 96%

登记号

• CAS号: 668984-08-5
• MDL号: MFCD06659941
• PubChem SID: 24884255; 162081193
• PubChem CID: 23674705

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.1319
• LogD (pH = 7.4): 3.1319
• Log P: 3.1319
• 摩尔折射率: 46.4284 cm^3
• 极化性: 19.210627 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(lit.); >300°C; >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%
• Empirical Formula (Hill Notation): C10H7BF3K

详细说明

Sigma Aldrich - 657018

包装
1, 5 g in poly bottle
Application
Reactant for:
• Iron-promoted hydrolysis1
• Preparation of diaryl selenides using electrophilic selenium species in ionic liquids2
• Preparation of arylbenzeneacetic acids via palladium-catalyzed cross-coupling reaction with benzeneacetic acids in presence of amino acid ligands3
• Rh-catalyzed addition to N-tosyl or N-nosyl ketimine intermediates4
Protocols & Applications
Suzuki Cross-Coupling using Organotrifluoroborates as Potent Boronic Acid Surrogates