4-iodo-1H-imidazole

• ChemBase编号: 64166
• 分子式: C3H3IN2
• 平均质量: 193.97379
• 单一同位素质量: 193.93409611
• SMILES: [nH]1c(cnc1)I
• Canonical SMILES: Ic1cnc[nH]1
• InChI: InChI=1S/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
• InChIKey: BHCMXJKPZOPRNN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-iodo-1H-imidazole; 5-iodo-1H-imidazole
• IUPAC传统名: 4-iodo-1H-imidazole; 4-iodo-3H-imidazole
• 别名: 4(5)-碘咪唑; 4-Iodo-1H-imidazole; 4-Iodoimidazole; 4(5)-Iodoimidazole; 4-iodo-1H-Imidazole; 4(5)-Iodoimidazole; 4-Iodoimidazole; 5-Iodo-1H-imidazole; 4(5)-Iodoimidazole

登记号

• CAS号: 71759-89-2
• MDL号: MFCD01632213
• Beilstein号: 1616
• PubChem SID: 162029905
• PubChem CID: 606522

理论计算性质

• 摩尔折射率: 32.0834 cm^3
• 极化性: 12.633996 Å^3
• 极化表面积: 28.68 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true
• Acid pKa: 12.022129
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.7180039
• LogD (pH = 7.4): 0.8148351
• Log P: 0.8163079

分子性质

理化性质

• 溶解度: Methanol; Partially Sol. in Water
• 外观: White Solid
• 熔点: 135-138°C; 136-137°C; 137-138°C

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: IRRITANT; Irritant/Store under Argon/Light Sensitive; Light Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 94%; 95%; 95+%; 98%

详细说明

Toronto Research Chemicals - I708100

Imidazole rings are found in numberous natural compounds such as enzymes, nucleic acid, and alkaloids that play a role in biological processes.