lithium(1+) ion tris(butan-2-yl)boranuide

• ChemBase编号: 128000
• 分子式: C12H27BLi
• 平均质量: 189.09478
• 单一同位素质量: 189.23658581
• SMILES: [Li+].CCC(C)[B-](C(C)CC)C(C)CC
• Canonical SMILES: CCC([B-](C(CC)C)C(CC)C)C.[Li+]
• InChI: InChI=1S/C12H28B.Li/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-13H,7-9H2,1-6H3;/q-1;+1
• InChIKey: ACJKNTZKEFMEAK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: lithium(1+) ion tris(butan-2-yl)boranuide
• IUPAC传统名: lithium(1+) ion tris(sec-butyl)boranuide
• 别名: 三仲丁基硼氢化锂, 1.0M THF溶液; 三仲丁基硼氢化锂 溶液; L-Selectride® 溶液; 三仲丁基硼氢化锂, 1.0M THF溶液, 氩气下可重封的ChemSeal™瓶包装; Lithium tri-sec-butylborohydride, 1.0M in THF; Lithium tri-sec-butylborohydride solution; L-Selectride® solution; L-selectride; Lithium tri-sec-butylhydridoborate; Lithium tri-sec-butylborohydride, 1.0M solution in THF

登记号

• CAS号: 38721-52-7
• MDL号: MFCD00011708
• Beilstein号: 4007327
• 默克索引号: 148427
• PubChem SID: 24850749; 162222316; 24855566
• PubChem CID: 23664288
• 维基百科标题: L-selectride

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.0151
• LogD (pH = 7.4): 4.0151
• Log P: 4.0151
• 摩尔折射率: 57.6617 cm^3
• 极化性: 25.317432 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Liquid
• 闪点: 1.4 °F; -17 °C; -17°C(1°F)
• 密度: 0.870; 0.89 g/mL at 25 °C

安全信息

• 保存注意事项: Moisture Sensitive
• 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: 3394; UN3394
• 德国WGK号: 3
• 联合国危险货物等级: 4.2
• 联合国危险货物包装类别(PG): 1; I
• 危险公开号: 11-14/15-17-19-34-37; 14/15-17-19-34
• 安全公开号: 16-26-36/37/39-43-45; 9-16-26-36/37/39-43-45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H250-H260-H314-H318; H225-H250-H260-H314-H335
• GHS警示性声明: P210-P222-P223-P231 + P232-P370 + P378-P422; P210-P280-P305+P351+P338-P310-P370+P378I-P402+P404
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3394 4.2/PG 1
• 欧盟补充危害声明: May form explosive peroxides.

产品相关信息

• 浓度: 1.0 M in THF; 1.0 M lithium tri-sec-butylborohydride in THF; 1.0M in THF; 1.0M solution in THF
• 包装: packaged under Argon in resealable ChemSeal? bottles
• 线性分子式: Li[CH(CH3)CH2CH3]3BH

详细说明

Sigma Aldrich - 257044

包装
1.8 L in Sure-Pac™
200 mL in Sure-Pac™
Application

• Reducing agent1Reagent for:
• Enantioselective synthesis of a-amino acids via reduction of N-tert-butanesulfinyl ketimine esters2
• Diastereoselective reduction reactions3
• Hydride reduction of the Danishefsky pyranones4
• Asymmetric reductive aldol reaction of enones with a-alkoxy aldehydes5
• Synthesis of alkanols by carbonylation reactions6
Recommended products
推荐使用弯通式隔垫入口接头 Z118206 或直通式隔垫入口接头 Z118141（6mm 内径入口）或直通式隔垫入口接头 Z118192（13mm 内径入口）。
法律信息
Selectride 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 178497

包装
100, 800 mL in Sure/Seal™
8, 18 L in Kilo-Lab™
View returnable container options.
Application

• Reducing agent1Reagent for:
• Enantioselective synthesis of a-amino acids via reduction of N-tert-butanesulfinyl ketimine esters2
• Diastereoselective reduction reactions3
• Hydride reduction of the Danishefsky pyranones4
• Asymmetric reductive aldol reaction of enones with a-alkoxy aldehydes5
• Synthesis of alkanols by carbonylation reactions6
法律信息
Selectride 注册商标 Sigma-Aldrich Co. LLC