2,2,6,6-tetramethyl-3,5-diaza-2,6-disilahepta-3,4-diene

• ChemBase编号: 146356
• 分子式: C7H18N2Si2
• 平均质量: 186.40222
• 单一同位素质量: 186.10085165
• SMILES: C[Si](C)(C)N=C=N[Si](C)(C)C
• Canonical SMILES: C[Si](N=C=N[Si](C)(C)C)(C)C
• InChI: InChI=1S/C7H18N2Si2/c1-10(2,3)8-7-9-11(4,5)6/h1-6H3
• InChIKey: KSVMTHKYDGMXFJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,6,6-tetramethyl-3,5-diaza-2,6-disilahepta-3,4-diene
• IUPAC传统名: 2,2,6,6-tetramethyl-3,5-diaza-2,6-disilahepta-3,4-diene
• 别名: 双(三甲基硅基)碳二亚胺; 1,3-Bis(trimethylsilyl)carbodiimide; N,N′-Methanetetraylbis[1,1,1-trimethylsilylamine]; N,N-Bis(trimethylsilyl)carbodiimide; Bis(trimethylsilyl)carbodiimide

登记号

• CAS号: 1000-70-0
• EC号: 213-673-2
• MDL号: MFCD00051538
• Beilstein号: 2042082
• PubChem SID: 24861243; 162240554
• PubChem CID: 70473

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.006405
• LogD (pH = 7.4): 3.1180732
• Log P: 3.1197
• 摩尔折射率: 43.5792 cm^3
• 极化性: 20.635925 Å^3
• 极化表面积: 24.72 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -23 °C(lit.); -23°C
• 沸点: 163-164°C; 164 °C(lit.)
• 闪点: 21 °C; 42°C(107°F); 69.8 °F
• 密度: 0.821 g/mL at 25 °C(lit.); 0.823
• 折射率: 1.4340; n20/D 1.434; n20/D 1.434(lit.)

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: VV1302500
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1993; UN1993
• 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; III
• 危险公开号: 10-22-36/37/38
• 安全公开号: 23-26-36/37; 26-36
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H302-H315-H319-H335; H226-H302-H315-H319-H335
• GHS警示性声明: P210-P261-P305 + P351 + P338; P261-P280H-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
• RID/ADR: UN 1993 3/PG 2

产品相关信息

• 纯度: ≥97.0% (GC); 97%; 98%
• 级别: purum
• 线性分子式: (CH3)3SiN=C=NSi(CH3)3

详细说明

Sigma Aldrich - 344338

包装
5 g in glass bottle
Application
Reactant for preparation of:
• 4-substituted methoxylbenzoyl-aryl-thiazole analogues as potent and orally bioavailable anticancer agents1
• O-silylurethanes2
• Porous SiCN materials3
• Luminescent diketo-pyrrolo-pyrrole analog4
• Hard thin films of silicon carbonitride SiCN as potential protection coatings against wear and corrosion of metals5
• Ceramic materials6

Sigma Aldrich - 15231

Other Notes
氰胺的高反应性合成等价物：用于从醌合成 N,N′-二氰基-喹啉并二亚胺7,8
Application
Reactant for preparation of:
• 4-substituted methoxylbenzoyl-aryl-thiazole analogues as potent and orally bioavailable anticancer agents1
• O-silylurethanes2
• Porous SiCN materials3
• Luminescent diketo-pyrrolo-pyrrole analog4
• Hard thin films of silicon carbonitride SiCN as potential protection coatings against wear and corrosion of metals5
• Ceramic materials6

参考文献

• Can behave as a protected, highly-reactive cyanamide equivalent. Reacts with ketones in the presence of CsF, or KCN + 18-crown-6, to give N-cyanoimines. In the presence of TiCl₄, quinones give N,N'-dicyanoquinodiimines: Angew. Chem. Int. Ed., 23, 447 (1984); Liebigs Ann. Chem., 142 (1986). Molecules of this type have found use as acceptor molecules in charge transfer complexes: J. Org. Chem., 57, 5726 (1992).