4-Amino-6-({5-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-2-sulfophenyl}diazenyl)-3-[(2,5-disulfophenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
[CAS# 72630-61-6]

Identification

• Name: 4-Amino-6-({5-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-2-sulfophenyl}diazenyl)-3-[(2,5-disulfophenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
• Synonyms: 2,7-Naphthalenedisulfonic acid, 4-amino-6-[[5-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-3-[(2,5-disulfophenyl)azo]-5-hydroxy-
• Molecular Formula: C₂₇H₂₀ClFN₈O₁₆S₅
• Molecular Weight: 927.27
• CAS Registry Number: 72630-61-6
• SMILES: Cc1c(c(nc(n1)F)Nc2ccc(c(c2)N=Nc3c(cc4cc(c(c(c4c3O)N)N=Nc5cc(ccc5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Cl
• InChI: 1S/C27H20ClFN8O16S5/c1-10-21(28)26(33-27(29)31-10)32-12-2-4-16(55(42,43)44)14(8-12)34-37-24-19(58(51,52)53)7-11-6-18(57(48,49)50)23(22(30)20(11)25(24)38)36-35-15-9-13(54(39,40)41)3-5-17(15)56(45,46)47/h2-9,38H,30H2,1H3,(H,31,32,33)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)
• InChIKey: SJXVCYARSHRQSE-UHFFFAOYSA-N

Properties

• Density: 2.066g/cm³ (Cal.)