1-[5-[[(3,6-二氯哒嗪-4-基)羰基]氨基]-2-甲基-3-磺基苯基]-4,5-二氢-5-氧代-4-[(2-磺基苯基)偶氮]-1H-吡唑-3-羧酸
[CAS# 68399-87-1]

基本信息

• 产品名称: 1-[5-[[(3,6-二氯哒嗪-4-基)羰基]氨基]-2-甲基-3-磺基苯基]-4,5-二氢-5-氧代-4-[(2-磺基苯基)偶氮]-1H-吡唑-3-羧酸
• 英文名: 1-[5-[[(3,6-Dichloropyridazin-4-Yl)Carbonyl]Amino]-2-Methyl-3-Sulphophenyl]-4,5-Dihydro-5-Oxo-4-[(2-Sulphophenyl)Azo]-1H-Pyrazole-3-Carboxylic Acid
• 别名: 1-[5-[(3,6-Dichloropyridazine-4-Carbonyl)Amino]-2-Methyl-3-Sulfo-Phenyl]-5-Oxo-4-(2-Sulfophenyl)Azo-4H-Pyrazole-3-Carboxylic Acid; 1-[5-[[(3,6-Dichloro-4-Pyridazinyl)-Oxomethyl]Amino]-2-Methyl-3-Sulfophenyl]-5-Oxo-4-(2-Sulfophenyl)Azo-4H-Pyrazole-3-Carboxylic Acid; 1-[5-[(3,6-Dichloropyridazine-4-Carbonyl)Amino]-2-Methyl-3-Sulfo-Phenyl]-5-Keto-4-(2-Sulfophenyl)Azo-4H-Pyrazole-3-Carboxylic Acid
• 分子式: C₂₂H₁₅Cl₂N₇O₁₀S₂
• 分子量: 672.43
• CAS 登录号: 68399-87-1
• EINECS 登录号: 269-994-3
• 分子行输入简码 SMILES: C3=C(N2N=C(C(=O)O)C(N=NC1=CC=CC=C1[S](=O)(=O)O)C2=O)C(=C([S](=O)(=O)O)C=C3NC(=O)C4=C(N=NC(=C4)Cl)Cl)C
• 国际化学标识码 InChI: 1S/C22H15Cl2N7O10S2/c1-9-13(6-10(7-15(9)43(39,40)41)25-20(32)11-8-16(23)27-29-19(11)24)31-21(33)17(18(30-31)22(34)35)28-26-12-4-2-3-5-14(12)42(36,37)38/h2-8,17H,1H3,(H,25,32)(H,34,35)(H,36,37,38)(H,39,40,41)
• 国际化学标识检索码 InChIKey: ZRDUNOGZJOMOGI-UHFFFAOYSA-N

物理化学性质

• 密度: 1.906g/cm³ （计算值）