lithium(1+) ion bis(trimethylsilyl)azanide

• ChemBase编号: 128076
• 分子式: C6H18LiNSi2
• 平均质量: 167.32582
• 单一同位素质量: 167.1137822
• SMILES: C[Si](C)(C)[N-][Si](C)(C)C.[Li+]
• Canonical SMILES: C[Si]([N-][Si](C)(C)C)(C)C.[Li+]
• InChI: InChI=1S/C6H18NSi2.Li/c1-8(2,3)7-9(4,5)6;/h1-6H3;/q-1;+1
• InChIKey: YNESATAKKCNGOF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: lithium(1+) ion bis(trimethylsilyl)azanide
• IUPAC传统名: lithium(1+) ion bis(trimethylsilyl)azanide
• 别名: 双(三甲基硅基)氨基锂; 双(三甲基硅基)氨基锂, 0.9-1.1M 正己烷溶液, 氩气下可重封的ChemSeal™瓶包装; Lithium bis(trimethylsilyl)amide and lithium hexamethyldisilazide; Lithium bis(trimethylsilyl)amide; LHMDS; Lithium hexamethyldisilazide; Lithium bis(trimethylsilyl)amide; Lithium bis(trimethylsilyl)amide, 0.9-1.1M in hexane

登记号

• CAS号: 4039-32-1
• EC号: 223-725-6
• MDL号: MFCD00008261
• PubChem SID: 162222392
• PubChem CID: 2733832
• 维基百科标题: Lithium_bis(trimethylsilyl)amide

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.8950769
• LogD (pH = 7.4): -0.8299159
• Log P: 2.7111
• 摩尔折射率: 39.3948 cm^3
• 极化性: 18.492445 Å^3
• 极化表面积: 9.23 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

• 溶解度: decomposes in water; THF, hexane
• 外观: Liquid; Powder, Packaged under argon; White solid
• 熔点: 71-72 °C; 83-86°C
• 沸点: 80 - 84 °C (0.001 mm Hg)
• 闪点: -17°C(1°F); -31°C(-24°F)
• 密度: 0.716; 0.891

安全信息

• 保存注意事项: Air & Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); X
• 联合国危险货物编号: UN2924; UN3396
• 联合国危险货物等级: 3; 4.3
• 联合国危险货物包装类别(PG): II
• 危险公开号: 11-14/15-34; 11-14-19-34; 11-14-34-48/20-62-51/53-67
• 安全公开号: 16-26-36/37/39-43-45; 16-26-36/37/39-43-45-57; 8-16-26-36/37/39-43-45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08; GHS09
• 主要危害: flammable
• GHS危险声明: H225-H304-H361-H373-H314-H336-H411; H225-H314-H318; H261-H228-H314-H318
• GHS警示性声明: P210-P280-P305+P351+P338-P309-P310-P402; P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A

产品相关信息

• 纯度: 20% (ca 1.06M) soln. in THF/ethylbenzene
• 浓度: 0.9-1.1M in hexane
• 包装: packaged in resealable septum cap bottle; packaged under Argon in resealable ChemSeal? bottles

参考文献

• Versatile non-nucleophilic strong base. For examples of use in the lithiation of ethyl acetate, see: Org. Synth. Coll., 6, 598 (1988), and in the stereospecific Wadsworth-Emmons synthesis of fluoroalkenes from (E)- and (Z)-fluorovinyl sulfones: Org. Synth. Coll., 9, 442 (1998).
• Supplied in septum cap bottle.