trimethyl(penta-2,3-dien-2-yl)silane

• ChemBase编号: 143547
• 分子式: C8H16Si
• 平均质量: 140.29814
• 单一同位素质量: 140.10212704
• SMILES: CC=C=C(C)[Si](C)(C)C
• Canonical SMILES: CC=C=C([Si](C)(C)C)C
• InChI: InChI=1S/C8H16Si/c1-6-7-8(2)9(3,4)5/h6H,1-5H3
• InChIKey: JGOGDIIEKVYPFO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: trimethyl(penta-2,3-dien-2-yl)silane
• IUPAC传统名: trimethyl(penta-2,3-dien-2-yl)silane
• 别名: 1,3-Dimethyl-1-(trimethylsilyl)allene; 2-(Trimethylsilyl)-2,3-pentadiene

登记号

• CAS号: 77494-35-0
• MDL号: MFCD17171289
• PubChem SID: 162237765
• PubChem CID: 11105454

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.6074
• LogD (pH = 7.4): 2.6074
• Log P: 2.6074
• 摩尔折射率: 41.8105 cm^3
• 极化性: 17.639053 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 15.8 °F; -9 °C
• 密度: 0.746 g/mL at 25 °C
• 折射率: n20/D 1.444

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: 1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11
• 安全公开号: 16
• GHS危险品标识: GHS02
• GHS警示词: Danger
• GHS危险声明: H225
• GHS警示性声明: P210
• RID/ADR: UN 1993 3/PG 2
• 保存温度: -20°C

产品相关信息

• Empirical Formula (Hill Notation): C8H16Si

详细说明

Sigma Aldrich - 720631

包装
500 mg in glass bottle
Application
Reactant for:
• Oxidative cyclization with chlorine to give chloro- and acetoxybenziodoxaboroles and a self-assembled tetrameric macrocyclic structure1
• Preparation of allylic alcohols or enone derivatives using boronic acid as catalyst2Catalyst for:
• Preparation of acylsulfoximines via N-acylation of sulfoximines with aliphatic acids3
• Direct amide bond formation4
• Regioselective preparation of substituted triazole derivatives via dipolar cycloaddition of unsaturated carboxylic acids with azides5