2-(tributylstannyl)pyrazine

• ChemBase编号: 8580
• 分子式: C16H30N2Sn
• 平均质量: 369.1238
• 单一同位素质量: 370.14309297
• SMILES: c1cnc(cn1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1nccnc1)(CCCC)CCCC
• InChI: InChI=1S/C4H3N2.3C4H9.Sn/c1-2-6-4-3-5-1;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3
• InChIKey: OVBXTKIWZAHFAC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(tributylstannyl)pyrazine
• IUPAC传统名: 2-(tributylstannyl)pyrazine
• 别名: (2-吡嗪基)三丁基锡; 三丁基锡烷基吡嗪; 2-(三正丁基锡)吡嗪; (Pyrazin-2-yl)tributylstannane; 2-(Tributylstannyl)pyrazine; (2-Pyrazinyl)tributyltin; Tributylstannylpyrazine; 2-(Tributylstannyl)pyrazine; 2-Tributylstannylpyrazine; 2-Pyrazinyltri-n-butylstannane; Tri-n-butyl-2-pyrazinyltin; 2-(Tri-n-butylstannyl)pyrazine

登记号

• CAS号: 205371-27-3
• MDL号: MFCD01319077
• PubChem SID: 24885295; 160971887
• PubChem CID: 2737316

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.2056227
• LogD (pH = 7.4): 3.205699
• Log P: 3.2057
• 摩尔折射率: 79.8897 cm^3
• 极化性: 35.973995 Å^3
• 极化表面积: 25.78 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 130 °C/1 mmHg; 130°C/1mm; 130/1mm
• 闪点: >110°C; >110°C(230°F); >113 °C; >235.4 °F
• 密度: 1.1706; 1.1706 g/mL at 25 °C; 1.171
• 折射率: 1.5158; 1.5160; n20/D 1.5158

安全信息

• 保存注意事项: KEEP COLD; Toxic/Harmful/Irritant/Air Sensitive/Moisture Sensitive/Store under Argon/Store at -20°C
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 2788; UN2788
• 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; III
• 危险公开号: 21-25-36/38-48/23/25-50/53
• 安全公开号: 35-36/37/39-45-60-61; 36/37/39-45-60-61
• TSCA收录: false; 否
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H312-H315-H319-H372-H400-H410; H301-H312-H315-H319-H372-H410
• GHS警示性声明: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501; P280-P273-P309-P310-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2788 6.1/PG 2
• 保存温度: -20°C

产品相关信息

• 纯度: 90%; 95%; 98%
• 线性分子式: (C4H3N2)Sn[(CH2)3CH3]3

详细说明

Apollo Scientific Ltd - OR6448

Remainder non-aromatic trialkyl and tetraalkyltins.

Sigma Aldrich - 675660

Application
通过芳基锡烷与三氟甲磺酸吡喃酯的钯催化偶联反应，微波辅助合成取代的吡喃酮。1
包装
1 g in glass bottle