5-{2-[4-(bromomethyl)phenyl]phenyl}-1-(triphenylmethyl)-1H-1,2,3,4-tetrazole

• ChemBase编号: 66800
• 分子式: C33H25BrN4
• 平均质量: 557.4824
• 单一同位素质量: 556.12625882
• SMILES: n1(nnnc1c1c(cccc1)c1ccc(cc1)CBr)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: BrCc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C33H25BrN4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-36-37-38(32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23H,24H2
• InChIKey: ZTFVTXDWDFIQEU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-{2-[4-(bromomethyl)phenyl]phenyl}-1-(triphenylmethyl)-1H-1,2,3,4-tetrazole
• IUPAC传统名: 5-{2-[4-(bromomethyl)phenyl]phenyl}-1-(triphenylmethyl)-1,2,3,4-tetrazole
• 别名: 4-Bromomethyl-2'-[N-triphenylmethyl-1H-tetrazol-5-yl]biphenyl; 4-[2'-(N-Triphenylmethyltetrazol-5-yl)phenyl]benzyl Bromide; 4'-Bromomethyl-2-(1-trityl-1H-tetrazol-5-yl)biphenyl; [2'-(1-Trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl Bromide; 5-[4'-Bromomethyl-(1,1'-biphenyl)-2-yl]-1-triphenylmethyltetrazole; N-(Triphenylmethyl)-5-(4-bromomethylbiphenyl-2-yl)tetrazole; 5-(4'-(BroMoMethyl)-[1,1'-biphenyl]-2-yl)-1-trityl-1H-tetrazole

登记号

• CAS号: 124750-51-2
• PubChem SID: 162032536
• PubChem CID: 10053461

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 8.9544
• LogD (pH = 7.4): 8.9544
• Log P: 8.9544
• 摩尔折射率: 181.673 cm^3
• 极化性: 61.54309 Å^3
• 极化表面积: 43.6 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Methanol (Sparingly)
• 外观: Off-White Solid
• 熔点: 152-155°C

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95+%; 98%

详细说明

Toronto Research Chemicals - B685310

An intermediate in the synthesis of Losartan and Valsartan.