triphenyl borate

• ChemBase编号: 151615
• 分子式: C18H15BO3
• 平均质量: 290.1209
• 单一同位素质量: 290.11142474
• SMILES: B(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Canonical SMILES: c1ccc(cc1)OB(Oc1ccccc1)Oc1ccccc1
• InChI: InChI=1S/C18H15BO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
• InChIKey: MDCWDBMBZLORER-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: triphenyl borate
• IUPAC传统名: boric acid, triphenyl ester
• 别名: 三苯基硼酸酯; NSC 806; Triphenoxyborane; Triphenyl ester boric acid; Triphenyl borate; Boron Triphenoxide; Triphenoxyboron; Triphenyl Borate; Boric Acid Triphenyl Ester; Phenyl Borate

登记号

• CAS号: 1095-03-0
• EC号: 214-137-0
• MDL号: MFCD00059011
• PubChem SID: 162245766; 24866237
• PubChem CID: 14182

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.7202
• LogD (pH = 7.4): 6.7202
• Log P: 6.7202
• 摩尔折射率: 80.4735 cm^3
• 极化性: 33.564007 Å^3
• 极化表面积: 27.69 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

• 溶解度: Chloroform; Methanol
• 外观: White Solid
• 熔点: <95°C; 98-101 °C(lit.)

安全信息

• 保存条件: Hygroscopic, Refrigerator, Under Inert Atmosphere
• RTECS编号: ED5775000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 23/24/25-41
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301 + H311 + H331-H318
• GHS警示性声明: P261-P280-P301 + P310-P305 + P351 + P338-P311
• 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 P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: 95+%
• 线性分子式: (C6H5O)3B

详细说明

Sigma Aldrich - 418714

包装
10 g in glass bottle
Application
Catalyst involved in:
• Multicomponent aziridination of aldehydes1
• Hetero-Diels-Alder reactions and Mukaiyama aldol condensation2
• Cross-metathesis of alkenes with 3-nitropropene3
• Asymmetric Claisen rearrangement of unactivated allyl vinyl ethers4
• Ethoxylation5
• Asymmetric aziridination of imines6

Toronto Research Chemicals - T808800

An organoborane compound with chemosterilant activity against Cochliomyia hominivorax (screwworm flies). A competitive inhibitor of urease of Klebsiella aerogenes used to study the mechanisms of interaction with the nickel active site.

参考文献

• Settepani, J.A. et al.: J. Econ. Entomol., 63, 375 (1969)
• Todd, M.J. et al.: J. Biol. Chem., 264, 15835 (1969)