tris(pentafluorophenyl)borane

• ChemBase编号: 93436
• 分子式: C18BF15
• 平均质量: 511.979648
• 单一同位素质量: 511.9853537
• 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)F)F)F
• Canonical SMILES: Fc1c(B(c2c(F)c(F)c(c(c2F)F)F)c2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
• InChIKey: OBAJXDYVZBHCGT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(pentafluorophenyl)borane
• IUPAC传统名: tris(pentafluorophenyl)boron
• 别名: 反(五氟苯荃)硼; 三(五氟苯基)硼烷 溶液; 三(五氟苯基)硼; 三(五氟苯基)硼烷; 1,1-二甲基-3-[3-(三氟甲基)苯基]脲; 伏草隆; Tris(perfluorophenyl)borane; Perfluorotriphenylborane; Tris(pentafluorophenyl)borane solution; Tris(pentafluorophenyl)borane; Fluomethuron; U - Fluometuron; Perfluorotriphenylboron; Tris(pentafluorophenyl)boron; Tris(pentafluorophenyl)boron

登记号

• CAS号: 1109-15-5; 2164-17-2
• MDL号: MFCD00269813
• Beilstein号: 2931347
• 默克索引号: 149755
• PubChem SID: 162080121; 24867921
• PubChem CID: 582056
• Chemspider ID: 505917
• 维基百科标题: Tris(pentafluorophenyl)boron

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.9991
• LogD (pH = 7.4): 7.9991
• Log P: 7.9991
• 摩尔折射率: 79.6689 cm^3
• 极化性: 29.265366 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: forms adduct in water
• 外观: colorless solid
• 熔点: 126-130°C; 126-130°C; 126-131 °C; 126-131 °C(lit.)
• 闪点: 45 °F; 7 °C
• 密度: 0.73 g/mL at 20 °C
• 折射率: n20/D 1.41

安全信息

• 保存注意事项: Moisture Sensitive; Toxic
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1268; UN2811
• 德国WGK号: 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 11-38-50/53-65-67; 25-36/37/38-50/53; 36/37/38; R36/37/38
• 安全公开号: 20-26-36/37-45-57; 26-36; 60-61-62; S26 S36
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H301-H315-H319-H335-H400-H410; H315-H319-H335
• GHS警示性声明: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1268 3/PG 2

产品相关信息

• 纯度: 95%; 97%; 98%
• 浓度: ~3% in Isopar® E
• 级别: technical
• 线性分子式: (C6F5)3B
• Empirical Formula (Hill Notation): C18BF15

详细说明

Apollo Scientific Ltd - PC0791

Useful component of Ziegler-Nattametallocene catalyst for polyolefins.J. Organomet. Chem., 1964, 2, 245

Sigma Aldrich - 442593

Features and Benefits
多功能试剂，广泛用于制备 d0 芳烃1和其他有机金属络合物2，可用作聚合反应催化剂。3
包装
1, 5 g in ampule

Sigma Aldrich - 93442

法律信息
Isopar 注册商标 Exxon Mobil Corp.

参考文献

• Air-stable, water-tolerant Lewis acid; for a review, see: Chem. Soc. Rev., 26, 345 (1997). Introduced by Yamamoto as a catalyst (2 mol%) for aldol condensations between silyl enol ethers and aldehydes under extremely mild conditions at temperatures between -78^o and ambient. Also effective for Michael additions of silyl enol ethers with enones: Synlett, 577 (1993). Low-temperature condensation of ester enol silanes with imines provides a route to ?-amino esters: Synlett, 963 (1994). Superior catalyst to TBAF for O-silylation with trialkyl or triaryl silanes. Alcohols and phenols are silylated using 2-8 mol% catalyst, with secondary and tertiary alcohols reacting faster than primary: J. Org. Chem., 64, 4887 (1999). Effective catalyst for reduction with Triethylsilane, A10320, of alcohols and ethers to alkyls: Tetrahedron Lett., 40, 8919 (1999). Catalyst for highly efficient hydrosilylation of olefins with silanes R₃SiH: J. Org. Chem., 67, 1936 (2002).
• Catalyst for regioselective rearrangement of epoxides to carbonyl compounds: Synlett., 721 (1995), and efficient cleavage of epoxides with allyl and propargyl alcohols, amines and thiols: Tetrahedron Lett., 43, 3801 (2002).