tris(1-(trimethylsilyl)-1H-imidazole) bis(chlorotrimethylsilane) tris(trimethylsilyl N-(trimethylsilyl)ethanecarboximidate)

• ChemBase编号: 158430
• 分子式: C48H117Cl2N9O3Si11
• 平均质量: 1248.34758
• 单一同位素质量: 1245.61183586
• SMILES: C/C(=N\[Si](C)(C)C)/O[Si](C)(C)C.C/C(=N\[Si](C)(C)C)/O[Si](C)(C)C.C/C(=N\[Si](C)(C)C)/O[Si](C)(C)C.C[Si](n1cncc1)(C)C.C[Si](n1cncc1)(C)C.C[Si](n1cncc1)(C)C.C[Si](Cl)(C)C.C[Si](Cl)(C)C
• Canonical SMILES: C[Si](n1ccnc1)(C)C.C[Si](n1ccnc1)(C)C.C[Si](n1ccnc1)(C)C.C[Si](Cl)(C)C.C[Si](Cl)(C)C.C/C(=N\[Si](C)(C)C)/O[Si](C)(C)C.C/C(=N\[Si](C)(C)C)/O[Si](C)(C)C.C/C(=N\[Si](C)(C)C)/O[Si](C)(C)C
• InChI: InChI=1S/3C8H21NOSi2.3C6H12N2Si.2C3H9ClSi/c3*1-8(9-11(2,3)4)10-12(5,6)7;3*1-9(2,3)8-5-4-7-6-8;2*1-5(2,3)4/h3*1-7H3;3*4-6H,1-3H3;2*1-3H3
• InChIKey: OURMKEZECLEOBZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(1-(trimethylsilyl)-1H-imidazole) bis(chlorotrimethylsilane) tris(trimethylsilyl N-(trimethylsilyl)ethanecarboximidate)
• IUPAC传统名: tris(1-(trimethylsilyl)imidazole); tris(bis(trimethylsilyl)acetamide); bis(chlorotrimethylsilane)
• 别名: 1-(三甲基硅基)咪唑/BSTFA/TMCS 3/3/2 (v/v/v); N,O-双(三甲基硅基)三氟乙酰胺-三甲基氯硅烷-1-(三甲基硅基)咪唑混合物; N,O-双(三甲基硅基)三氟乙酰胺/TMSIM/TMCS 3/3/2 (v/v/v); 硅烷化混合物 Fluka III; 1-(Trimethylsilyl)imidazole/BSTFA/TMCS 3/3/2 (v/v/v); N,O-Bis(trimethylsilyl)trifluoroacetamide/TMSIM/TMCS 3/3/2 (v/v/v); N,O-Bis-(trimethylsilyl)-trifluoracetamid - chlorotrimethylsilane - 1-(trimethylsilyl)imidazole mixture; Silylating mixture Fluka III

登记号

• MDL号: MFCD00213952
• PubChem SID: 162252566
• PubChem CID: 71312644

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.7573494
• LogD (pH = 7.4): 3.0714154
• Log P: 3.1974
• 摩尔折射率: 47.6538 cm^3
• 极化性: 22.749172 Å^3
• 极化表面积: 21.59 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 3 °C; 37.4 °F
• 密度: 0.944 g/mL at 20 °C

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F)
• 联合国危险货物编号: 2924
• 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: 11-14-35-37
• 安全公开号: 16-26-36/37/39-45
• GHS危险品标识: GHS02; GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H314-H335
• GHS警示性声明: P210-P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2924 3/PG 2
• 欧盟补充危害声明: Reacts violently with water.
• 保存温度: 2-8°C

产品相关信息

• 级别: for GC

详细说明

Sigma Aldrich - 85433

Other Notes
高效的通用硅烷化试剂1,2
Protocols & Applications
Derivatisation of Non-Steroidal Anti-Inflammatory Drugs with Activated Silylating Reagents