tributyl[4-(tributylstannyl)phenyl]stannane

• ChemBase编号: 89602
• 分子式: C30H58Sn2
• 平均质量: 656.18352
• 单一同位素质量: 658.25823986
• SMILES: [Sn](c1ccc(cc1)[Sn](CCCC)(CCCC)CCCC)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
• InChI: InChI=1S/C6H4.6C4H9.2Sn/c1-2-4-6-5-3-1;6*1-3-4-2;;/h1-2,5-6H;6*1,3-4H2,2H3
• InChIKey: RZCMLHJDBZGVSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tributyl[4-(tributylstannyl)phenyl]stannane
• IUPAC传统名: tributyl[4-(tributylstannyl)phenyl]stannane
• 别名: 1,4-双(三丁基锡)苯; 1,4-双(三丁基甲锡烷基)苯; 1,4-Phenylenebis[tributylstannane]; 1,4-Bis(tributylstannanyl)benzene; 1,4-Bis(tributylstannyl)benzene; Phenylene-1,4-bis(tributylstannane), Benzene-1,4-diylbis(tributylstannane); 1,4-Bis(tributylstannyl)benzene

登记号

• CAS号: 17151-51-8
• MDL号: MFCD17015284
• PubChem SID: 162076475
• PubChem CID: 10930334

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.2152
• LogD (pH = 7.4): 8.2152
• Log P: 8.2152
• 摩尔折射率: 141.722 cm^3
• 极化性: 65.149315 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 20
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 206-210°C/0.04mm
• 闪点: >110 °C; >110°C; >230 °F
• 密度: 1.147; 1.147 g/mL at 25 °C
• 折射率: 1.522; n20/D 1.522

安全信息

• 保存注意事项: Toxic
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 2788
• 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: 21-25-36/38-48/23/25-50/53
• 安全公开号: 36/37/39-45-60-61
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H312-H315-H319-H372-H410
• GHS警示性声明: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
• RID/ADR: UN 2788 6.1/PG 3

产品相关信息

• Empirical Formula (Hill Notation): C30H58Sn2

详细说明

Sigma Aldrich - 721204

包装
1, 5 g in glass bottle
Application
Reactant for:
• Preparation of covalent analogs of DNA base pairs and triplets from 9-benzyl-6-chloropurine via a Stille cross-coupling reaction1
• Reaction with glucuronolactone derivatives in preparation of 3-C-iodomethyl, 6-C-iodomethyl and 6-C-iodophenyl derivatives as higher iodinated analogs of D-glucose2