1-methyl-5-(tributylstannyl)-1H-imidazole

• ChemBase编号: 88982
• 分子式: C16H32N2Sn
• 平均质量: 371.13968
• 单一同位素质量: 372.15874303
• SMILES: n1cn(C)c(c1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cncn1C)(CCCC)CCCC
• InChI: InChI=1S/C4H5N2.3C4H9.Sn/c1-6-3-2-5-4-6;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3
• InChIKey: OGYWKJKAIAEDQX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-5-(tributylstannyl)-1H-imidazole
• IUPAC传统名: 1-methyl-5-(tributylstannyl)imidazole
• 别名: 1-甲基-5-(三丁基锡基)咪唑; 1-甲基-5-(三正丁基锡)咪唑; 1-Methyl-5-tributylstannanyl-1H-imidazole; (1-Methyl-1H-imidazol-5-yl)tributylstannane; 1-Methyl-5-(tributylstannyl)-1H-imidazole 97%; 1-Methyl-5-(tributylstannyl)imidazole; 5-(Tri-n-butylstannyl)-1-methylimidazole; 1-Methyl-5-(tri-n-butylstannyl)imidazole

登记号

• CAS号: 147716-03-8
• MDL号: MFCD01319031
• PubChem SID: 162075868
• PubChem CID: 10915651

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.2145631
• LogD (pH = 7.4): 2.843309
• Log P: 3.026
• 摩尔折射率: 80.9948 cm^3
• 极化性: 36.343033 Å^3
• 极化表面积: 17.82 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: 160-164 °C/2 mmHg; 160-164°C/2mm
• 闪点: >110 °C; >110°C; >230 °F
• 密度: 1.220; 1.220 g/mL at 25 °C
• 折射率: n20/D 1.510

安全信息

• 保存注意事项: Toxic/Harmful/Store under Argon
• 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): 3; III
• 危险公开号: 21-25-36/38-48/23/25-50/53
• 安全公开号: 36/37/39-45-60-61
• TSCA收录: 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: P260-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
• RID/ADR: UN 2788 6.1/PG 3

产品相关信息

• 纯度: 90+%; 95%; 97%
• Empirical Formula (Hill Notation): C16H32N2Sn

详细说明

Sigma Aldrich - 718793

包装
1, 5 g in glass bottle
500 mg in glass bottle