trimethoxy(phenyl)silane

• ChemBase编号: 111111
• 分子式: C9H14O3Si
• 平均质量: 198.29116
• 单一同位素质量: 198.07122084
• SMILES: CO[Si](OC)(OC)c1ccccc1
• Canonical SMILES: CO[Si](c1ccccc1)(OC)OC
• InChI: InChI=1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
• InChIKey: ZNOCGWVLWPVKAO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: trimethoxy(phenyl)silane
• IUPAC传统名: phenyltrimethoxysilane
• 别名: Dow Corning® 产品 Z-6124; (三甲氧基甲硅基)苯; 苯基三甲氧基硅烷; 三甲氧基苯基硅烷; 苯基三甲氧基硅烷; Dow Corning® product Z-6124; PHENYLTRIMETHOXYSILANE; (Trimethoxysilyl)benzene; Phenyltrimethoxysilane; Trimethoxyphenylsilane; Trimethoxyphenylsilane; Phenyltrimethoxysilane

登记号

• CAS号: 155684-43-8; 2996-92-1
• EC号: 221-066-9
• MDL号: MFCD00025689
• Beilstein号: 2937896
• PubChem SID: 24867248; 24846673; 24887429; 162103229; 24885485
• PubChem CID: 18137

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.2223
• LogD (pH = 7.4): 2.2223
• Log P: 2.2223
• 摩尔折射率: 46.615 cm^3
• 极化性: 20.86107 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: liquid
• 熔点: -25°C
• 沸点: 210-212°C; 233 °C(lit.)
• 闪点: 183.2 °F; 37 °C; 84 °C; 86°C(186°F); 98.6 °F
• 密度: 1.062 g/mL at 25 °C(lit.); 1.070
• 折射率: 1.4735; n20/D 1.468(lit.); n20/D 1.473

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: VV5252000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 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): 3
• 危险公开号: 10-14-20/21/22-36/37/38-68/20/21/22; 36/37/38
• 安全公开号: 23-26-37; 26-36; 26-36/37
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08
• GHS警示词: Danger; Warning
• GHS危险声明: H226-H302-H314-H335-H371; H315-H319-H335; H315-H319-H335-H227
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P260-P280-P305 + P351 + P338-P310; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 纯度: ≥94%; 97%; 98%
• 级别: deposition grade; purum
• 杂质: 1-3% methyl alcohol
• 线性分子式: C6H5Si(OCH3)3

详细说明

MP Biomedicals - 05217794

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 679313

包装
50 g in glass bottle

Sigma Aldrich - 435651

包装
1 L in Sure/Seal™
Legal Information
由 Aldrich Chemical Company, Inc. 重新包装，由美国 Dow Corning Corporation 制造 ®美国 Dow Corning Corporation 的注册商标
法律信息
Dow Corning 注册商标 The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - 104744

包装
50, 250 mL in glass bottle

参考文献

• Aryltrimethoxysilanes undergo Pd-catalyzed cross-coupling reactions with e.g. aryl iodides in the presence of TBAF, via a postulated hypervalent siloxane intermediate: J. Org. Chem., 64, 1684 (1999):