pyridin-1-ium-1-ylboranuide

• ChemBase编号: 139983
• 分子式: C5H7BN
• 平均质量: 91.92678
• 单一同位素质量: 92.06715463
• SMILES: [BH2-][n+]1ccccc1
• Canonical SMILES: [BH2-][n+]1ccccc1
• InChI: InChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3
• InChIKey: LPGWNCNRGQANGC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pyridin-1-ium-1-ylboranuide
• IUPAC传统名: pyridin-1-ium-1-ylboranuide
• 别名: 吡啶硼烷; 硼烷吡啶络合物; NSC 10219; NSC 53324; Trihydro(pyridine)boron; Pyridine borane; Borane pyridine complex

登记号

• CAS号: 110-51-0
• EC号: 203-773-4
• MDL号: MFCD00012435
• PubChem SID: 24850651; 162234228
• PubChem CID: 10290747

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -3.2778742
• LogD (pH = 7.4): -3.2778742
• Log P: -3.2778742
• 摩尔折射率: 28.1705 cm^3
• 极化性: 12.146626 Å^3
• 极化表面积: 3.88 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

• 熔点: 10-11 °C(lit.)
• 闪点: 163.4 °F; 73 °C
• 密度: 0.92 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.532(lit.)

安全信息

• 欧盟危险性物质标志: 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2810
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 24/25-26
• 安全公开号: 28-36/37-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H310-H330
• GHS警示性声明: P260-P280-P284-P302 + P350-P310
• RID/ADR: UN 2810 6.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 浓度: ~8 M BH3
• Empirical Formula (Hill Notation): C5H8BN

详细说明

Sigma Aldrich - 179752

Caution
储存时可能变暗。
Other Notes
可含过量吡啶
包装
5, 25, 100 g in Sure/Seal™
Application
Used for:
• Investigations of site energy distribution functions from Toth isotherm for adsorption of gases on heterogeneous surfaces1
• Preparation of α-alkyl-β-hydroxy esters2
• Regioselective immobilization of short oligonucleotides to acrylic copolymer gels3
• Preparation of Igs conjugated with viral peptide epitopes4
• Sintering of silicon carbide5Reducing agent for high performance liquid chromatography analysis of oligosaccharides6Modifier in decant oil affecting its carbonization to mesophase pitch7