lithium(1+) ion (1s,5s)-9-borabicyclo[3.3.1]nonan-9-uide

• ChemBase编号: 146492
• 分子式: C8H15BLi
• 平均质量: 128.9567
• 单一同位素质量: 129.14268543
• SMILES: [Li+].[BH-]1[C@H]2CCC[C@@H]1CCC2
• Canonical SMILES: C1C[C@@H]2CCC[C@H](C1)[BH-]2.[Li+]
• InChI: InChI=1S/C8H16B.Li/c1-3-7-5-2-6-8(4-1)9-7;/h7-8H,1-6,9H2;/q-1;+1/t7-,8+
• InChIKey: FKBNTWWZQZPVGU-KVZVIFLMSA-N

名称和登记号

名称

• IUPAC标准名: lithium(1+) ion (1s,5s)-9-borabicyclo[3.3.1]nonan-9-uide
• IUPAC传统名: lithium(1+) ion (1s,5s)-9-borabicyclo[3.3.1]nonan-9-uide
• 别名: 9-BBN 氢化锂 溶液; Lithium 9-BBN hydride solution

登记号

• CAS号: 76448-08-3
• MDL号: MFCD00213560
• PubChem SID: 162240688; 24861234
• PubChem CID: 11105381

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.0674
• LogD (pH = 7.4): 1.0674
• Log P: 1.0674
• 摩尔折射率: 35.9034 cm^3
• 极化性: 16.43096 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: -20 °C; -4 °F
• 密度: 0.919 g/mL at 25 °C

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 3399
• 德国WGK号: 2
• 联合国危险货物等级: 4.3
• 联合国危险货物包装类别(PG): 1
• 危险公开号: 11-14/15-19-25-34
• 安全公开号: 16-26-36/37/39-43-45
• GHS危险品标识: GHS02; GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H225-H260-H301-H314
• GHS警示性声明: P210-P223-P231 + P232-P280-P370 + P378-P422
• 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 3399 4.3/PG 1
• 欧盟补充危害声明: May form explosive peroxides., Reacts violently with water.

产品相关信息

• 浓度: 1.0 M in THF
• Empirical Formula (Hill Notation): C8H16BLi

详细说明

Sigma Aldrich - 344230

包装
50, 500 mL in Sure/Seal™
Application
Reactant for:
• Preparation of Ti dihydridodiorganylborate compounds1
• Lithium imidazolium borate sulfonate triple ionic compounds as Li cation conductive matrixes2
• Reduction reactions (reducing agent)3