difluorotriphenylstannanuide; tetrabutylazanium

• ChemBase编号: 8557
• 分子式: C34H51F2NSn
• 平均质量: 630.4732464
• 单一同位素质量: 631.30115108
• SMILES: c1([Sn-](c2ccccc2)(c2ccccc2)(F)F)ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Canonical SMILES: F[Sn-](c1ccccc1)(c1ccccc1)(c1ccccc1)F.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36N.3C6H5.2FH.Sn/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3*1-2-4-6-5-3-1;;;/h5-16H2,1-4H3;3*1-5H;2*1H;/q+1;;;;;;+1/p-2
• InChIKey: ODMXVCNGZGLSRS-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: difluorotriphenylstannanuide; tetrabutylazanium
• IUPAC传统名: difluorotriphenylstannanuide; tetrabutylammonium
• 别名: 四丁基二氟三苯基锡酸铵; Tetrabutylammonium difluorotriphenyltin; Tetrabutylammonium difluorotriphenylstannate; Gingras' Reagent; Tetra-n-butylammonium difluorotriphenylstannate; Tetrabutylammonium difluorotriphenylstannate

登记号

• CAS号: 139353-88-1
• EC号: 000-000-0
• MDL号: MFCD00192465
• Beilstein号: 8668854
• PubChem SID: 24866231; 160971864
• PubChem CID: 2733194

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.9916
• LogD (pH = 7.4): 4.9916
• Log P: 4.9916
• 摩尔折射率: 79.4255 cm^3
• 极化性: 34.634083 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 188-191°C; 192-193 °C; 192-193 °C(lit.); 192-193°C

安全信息

• 保存注意事项: Hygroscopic; IRRITANT
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); X
• 联合国危险货物编号: 3146; UN3146
• 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; III
• 危险公开号: 20/21/22-50/53; 23/24/25-50/53
• 安全公开号: 26-27-28-45-60-61; 9-36/37-57
• TSCA收录: false; 否
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H311-H331-H410; H331-H302-H312-H400-H410
• GHS警示性声明: P261-P273-P280-P301 + P310-P311-P501; P261-P280-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3146 6.1/PG 3

产品相关信息

• 纯度: ≥97.0% (RT); 97%
• 级别: purum
• 线性分子式: (CH3CH2CH2CH2)4N[(C6H5)3SnF2]

详细说明

Sigma Aldrich - 418625

包装
1 g in glass bottle
250 mg in glass bottle
Application
Reactant for:
• Reaction with K tert-butoxide to give disilylated fluorosilylenoid for subsequent self-condensation to fluorodisilanyl anion1
• Cross-coupling reactions with vinyl and aryl triflates2
• Cocatalyst in phase-transfer fluorination of alkyl halides and sulfonates3
• Used as a nucleophilic fluorinating agent4

Sigma Aldrich - 86844

Other Notes
高价锡氟化物：一种有用的无吸湿性且非常稳定（最高 210°C 下稳定）的氟化剂5,6
Application
Reactant for:
• Reaction with K tert-butoxide to give disilylated fluorosilylenoid for subsequent self-condensation to fluorodisilanyl anion1
• Cross-coupling reactions with vinyl and aryl triflates2
• Cocatalyst in phase-transfer fluorination of alkyl halides and sulfonates3
• Used as a nucleophilic fluorinating agent4

参考文献

• Can be regarded as a non-hygroscopic anhydrous equivalent of TBAF useful in the preparation of gem-difluorides: Synlett., 8, 587 (1993), and the alkylation of enol silyl ethers: Tetrahedron Lett., 32, 7381 (1991). For use in the fluorination of carbohydrates, see: Tetrahedron Asymmetry, 9, 213 (1998).