ethylbis(propan-2-yl)amine borane

• ChemBase编号: 147990
• 分子式: C8H22BN
• 平均质量: 143.07798
• 单一同位素质量: 143.18453011
• SMILES: B.CCN(C(C)C)C(C)C
• Canonical SMILES: CCN(C(C)C)C(C)C.B
• InChI: InChI=1S/C8H19N.BH3/c1-6-9(7(2)3)8(4)5;/h7-8H,6H2,1-5H3;1H3
• InChIKey: DWXQHSSGDGWIMP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethylbis(propan-2-yl)amine borane
• IUPAC传统名: N,N-diisopropylethylamine borane
• 别名: N,N-二异丙基乙胺硼烷络合物; Diisopropylethylamine borane; Borane N,N-diisopropylethylamine complex

登记号

• CAS号: 88996-23-0
• MDL号: MFCD00013185
• PubChem SID: 162242170; 24855263
• PubChem CID: 11789314

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -1.3996065
• LogD (pH = 7.4): -1.0124657
• Log P: 2.0937433
• 摩尔折射率: 43.0715 cm^3
• 极化性: 17.036163 Å^3
• 极化表面积: 3.24 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

• 熔点: 15-17 °C(lit.)
• 闪点: 104 °F; 40 °C
• 密度: 0.822 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.46(lit.)

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2920
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 10-34
• 安全公开号: 16-26-36/37/39-45
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H226-H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 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 2920 8/PG 2

产品相关信息

• 线性分子式: [(CH3)2CH]2NC2H5·BH3

详细说明

Sigma Aldrich - 253111

包装
25, 100 g in Sure/Seal™
Application
Reactant for:
• Preparation of modifiable bidentate systems via nitrogen-carbon rearrangement1
• Preparation of bioactive boranophosphonic acids2
• Preparation of precursors for synthesis of boronated oligonucleotide sequences3
• Synthesis of dithymidine boranophosphate via the oxathiaphospholane approach4
• Preparation of adenosine boranothiotriphosphate ribonucleoside and thymidine boranothiotriphosphate deoxyribonucleoside5
• Preparation of borane-amine complexes6