4-iodo-1-(triphenylmethyl)-1H-imidazole

• ChemBase编号: 64121
• 分子式: C22H17IN2
• 平均质量: 436.28825
• 单一同位素质量: 436.04364655
• SMILES: n1(cnc(c1)I)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: Ic1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H17IN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
• InChIKey: DXJZJYPLPZEYBH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-iodo-1-(triphenylmethyl)-1H-imidazole
• IUPAC传统名: 4-iodo-1-(triphenylmethyl)imidazole
• 别名: 4-Iodo-1-[tris(phenyl)methyl]-1H-imidazole; 4-Iodo-1-trityl-1H-imidazole 98%; 4-Iodo-1-trityl-1H-imidazole; 4-Iodo-1-(triphenylmethyl)-1H-imidazole; 1-(Triphenylmethyl)-4-iodoimidazole; 1-Trityl-4-iodoimidazole; 4-Iodo-1-trityl-1H-imidazole; 4-Iodo-1-tritylimidazole

登记号

• CAS号: 96797-15-8
• MDL号: MFCD02179542
• PubChem SID: 162029860
• PubChem CID: 618252

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.146044
• LogD (pH = 7.4): 6.1962466
• Log P: 6.196939
• 摩尔折射率: 112.0303 cm^3
• 极化性: 42.68043 Å^3
• 极化表面积: 17.82 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Dichloromethane; Ethyl Acetate
• 外观: White Solid
• 熔点: 224-225°C

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 95%; 95+%; 97%