sodium triethylboranuide

• ChemBase编号: 145810
• 分子式: C6H15BNa
• 平均质量: 120.98407
• 单一同位素质量: 121.11645016
• SMILES: [B-](CC)(CC)CC.[Na+]
• Canonical SMILES: CC[B-](CC)CC.[Na+]
• InChI: InChI=1S/C6H16B.Na/c1-4-7(5-2)6-3;/h7H,4-6H2,1-3H3;/q-1;+1
• InChIKey: YDTZLEUIYNMRLQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: sodium triethylboranuide
• IUPAC传统名: sodium lithium triethylborohydride
• 别名: 三乙基硼氢化钠 溶液; Sodium triethylborate; Sodium triethylhydridoborate; Sodium triethylhydroborate; Sodium triethylborohydride solution

登记号

• CAS号: 17979-81-6
• MDL号: MFCD00011704
• Beilstein号: 4151241
• PubChem SID: 24852781; 162240012; 24853623
• PubChem CID: 23667700

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.2587
• LogD (pH = 7.4): 1.2587
• Log P: 1.2587
• 摩尔折射率: 31.1477 cm^3
• 极化性: 14.245001 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 1.4 °F; -17 °C; 44.6 °F; 7 °C
• 密度: 0.866 g/mL at 25 °C; 0.89 g/mL at 25 °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: 3399
• 德国WGK号: 3
• 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: 11-14/15-19-34-37; 63-11-14/15-34-48/20-65-67
• 安全公开号: 16-26-36/37/39-43-45; 16-26-36/37/39-43-45-62
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H261-H304-H314-H336-H361d-H373; H225-H261-H314-H335
• GHS警示性声明: P210-P231 + P232-P261-P280-P301 + P310-P422; P210-P231 + P232-P261-P280-P305 + P351 + P338-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.; Reacts violently with water.

产品相关信息

• 浓度: ~1 M in THF; 1.0 M in THF; 1.0 M in toluene
• 级别: purum
• 线性分子式: (C2H5)3NaBH

详细说明

Sigma Aldrich - 227307

包装
100 mL in Sure/Seal™
Application
Reactant for:
• Preparation of alcohols by hydrogenation of ketones catalyzed by an iron pincer complex1
• Preparation of alkali metal boron monohydride complexes2
• Coordinative substitution reactions3
• Ligand exchange reactions4
• Hydridic reagent5

Sigma Aldrich - 213411

包装
100, 800 mL in Sure/Seal™
Application
Reactant for:
• Preparation of alcohols by hydrogenation of ketones catalyzed by an iron pincer complex1
• Preparation of alkali metal boron monohydride complexes2
• Coordinative substitution reactions3
• Ligand exchange reactions4
• Hydridic reagent5

Sigma Aldrich - 72054

Application
Reactant for:
• Preparation of alcohols by hydrogenation of ketones catalyzed by an iron pincer complex1
• Preparation of alkali metal boron monohydride complexes2
• Coordinative substitution reactions3
• Ligand exchange reactions4
• Hydridic reagent5