甲基百里香酚蓝四钠盐
[CAS# 4310-80-9]

基本信息

• 产品名称: 甲基百里香酚蓝四钠盐
• 英文名: Methylthymol Blue tetrasodium salt
• 别名: Tetrasodium 2-[[5-[3-[3-[[Bis(2-Oxido-2-Oxo-Ethyl)Amino]Methyl]-4-Hydroxy-5-Isopropyl-2-Methyl-Phenyl]-1,1-Dioxo-Benzo[C]Oxathiol-3-Yl]-2-Hydroxy-3-Isopropyl-6-Methyl-Phenyl]Methyl-(2-Oxido-2-Oxo-Ethyl)Amino]Acetate; Tetrasodium 2-[[5-[3-[3-[[Bis(2-Oxido-2-Oxoethyl)Amino]Methyl]-4-Hydroxy-5-Isopropyl-2-Methylphenyl]-1,1-Dioxo-3-Benzo[C]Oxathiolyl]-2-Hydroxy-3-Isopropyl-6-Methylphenyl]Methyl-(2-Oxido-2-Oxoethyl)Amino]Acetate; Tetrasodium 2-[[5-[3-[3-[[Bis(2-Keto-2-Oxido-Ethyl)Amino]Methyl]-4-Hydroxy-5-Isopropyl-2-Methyl-Phenyl]-1,1-Diketo-Benzo[C]Oxathiol-3-Yl]-2-Hydroxy-3-Isopropyl-6-Methyl-Benzyl]-(2-Keto-2-Oxido-Ethyl)Amino]Acetate
• 分子式: C₃₇H₄₀N₂Na₄O₁₃S
• 分子量: 844.75
• CAS 登录号: 4310-80-9
• 分子行输入简码 SMILES: C4=C(C3(C1=CC(=C(C(=C1C)CN(CC(=O)[O-])CC(=O)[O-])O)C(C)C)C2=C(C=CC=C2)[S](O3)(=O)=O)C(=C(C(=C4C(C)C)O)CN(CC(=O)[O-])CC(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]
• 国际化学标识码 InChI: 1S/C37H44N2O13S.4Na/c1-19(2)23-11-28(21(5)25(35(23)48)13-38(15-31(40)41)16-32(42)43)37(27-9-7-8-10-30(27)53(50,51)52-37)29-12-24(20(3)4)36(49)26(22(29)6)14-39(17-33(44)45)18-34(46)47;;;;/h7-12,19-20,48-49H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47);;;;/q;4*+1/p-4
• 国际化学标识检索码 InChIKey: DIZZDZCUMBBRSG-UHFFFAOYSA-J

物理化学性质

• 沸点: 891.6°C at 760 mmHg （计算值）
• 闪点: 493°C （计算值）