[4-(benzyloxy)phenyl]tributylstannane

• ChemBase编号: 89614
• 分子式: C25H38OSn
• 平均质量: 473.26962
• 单一同位素质量: 474.19445984
• SMILES: [Sn](c1ccc(cc1)OCc1ccccc1)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)OCc1ccccc1)(CCCC)CCCC
• InChI: InChI=1S/C13H11O.3C4H9.Sn/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;3*1-3-4-2;/h1,3-10H,11H2;3*1,3-4H2,2H3
• InChIKey: DRDMDSYSKAAPQQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [4-(benzyloxy)phenyl]tributylstannane
• IUPAC传统名: [4-(benzyloxy)phenyl]tributylstannane
• 别名: (4-苄氧基苯基)三丁基锡烷; [4-(Benzyloxy)phenyl]tributylstannane; Benzyl 4-(tributylstannyl)phenyl ether; 1-(Benzyloxy)-4-(tributylstannyl)benzene; [4-(Benzyloxy)phenyl]tributyltin; (4-Benzyloxyphenyl)tributylstannane

登记号

• CAS号: 145745-05-7
• MDL号: MFCD17015282
• PubChem SID: 162076480
• PubChem CID: 10600540

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.6548
• LogD (pH = 7.4): 6.6548
• Log P: 6.6548
• 摩尔折射率: 114.9658 cm^3
• 极化性: 49.80943 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: >110 °C; >110°C; >230 °F
• 密度: 1.128; 1.128 g/cm3 at 25 °C
• 折射率: n20/D 1.546

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): C25H38OSn

详细说明

Sigma Aldrich - 721131

包装
1 g in glass bottle
Application
Reactant for:
• Preparation of epoxy-substituted aryl alkenes by Stille coupling reactions with allylic carbonates1
• Preparation of polycyclic meroterpenoids based on Stille couplings and titanocene catalysis2