hydrogen [4-(di-tert-butylphosphanyl)-2,3,5,6-tetrafluorophenyl]bis(pentafluorophenyl)boranuide

• ChemBase编号: 143152
• 分子式: C26H18BF14P-
• 平均质量: 638.1835258
• 单一同位素质量: 638.10156269
• SMILES: [B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)P(C(C)(C)C)C(C)(C)C)F)F
• Canonical SMILES: Fc1c(F)c(c(c(c1[B-](c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F)F)F)P(C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C26H19BF14P/c1-25(2,3)42(26(4,5)6)24-22(40)14(32)9(15(33)23(24)41)27(7-10(28)16(34)20(38)17(35)11(7)29)8-12(30)18(36)21(39)19(37)13(8)31/h27H,1-6H3/q-1
• InChIKey: KGYHXLYRDXKNBO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hydrogen [4-(di-tert-butylphosphanyl)-2,3,5,6-tetrafluorophenyl]bis(pentafluorophenyl)boranuide
• IUPAC传统名: hydrogen [4-(di-tert-butylphosphanyl)-2,3,5,6-tetrafluorophenyl]bis(pentafluorophenyl)boranuide
• 别名: 氢[4-二-叔丁基膦-2,3,5,6-四氟苯]氢双(2,3,4,5,6-五氟苯)硼酸盐; Frustrated phosphonium borate 1; Hydrogen [4-di-tert-butylphosphino-2,3,5,6-tetrafluorophenyl]hydrobis(2,3,4,5,6-pentafluorophenyl)borate

登记号

• CAS号: 952208-49-0
• PubChem SID: 162237374
• PubChem CID: 71310883

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.2978
• LogD (pH = 7.4): 7.2978
• Log P: 7.2978
• 摩尔折射率: 123.8734 cm^3
• 极化性: 46.28934 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 222-227 °C

安全信息

• 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: 26-36/37
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: 97%
• 线性分子式: H+ [(((CH3)3C)2PC6F4)B(H)(C6F5)2]-

详细说明

Sigma Aldrich - 703087

General description
用于亚胺的无金属催化氢化反应的不稳定膦硼酸盐。在温和条件下激活二氢。1,4
包装
1 g in glass bottle
250 mg in glass bottle
Application
Catalyst for metal-free catalytic hydrogenation1Reactant for formation of:
• Frustrated Lewis reactants2
• Phosphine-boranes and cationic phosphonium-boranes3