PFAS
全球PFAS筛查数据库
活性黄39(Reactive Yellow 39)
CAS号: 12226-61-8
IUPAC名称: disodium;4-[4-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonate
分子式: C19H12BrCl2N5Na2O8S2
分子量: 699.24700
InChI: InChI=1S/C19H14BrCl2N5O8S2.2Na/c1-8(20)18(28)23-10-3-4-15(36(30,31)32)13(5-10)24-25-17-9(2)26-27(19(17)29)14-6-12(22)16(7-11(14)21)37(33,34)35;;/h3-7,17H,1H2,2H3,(H,23,28)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2
InChIKey: JVURCOFLRNSPQI-UHFFFAOYSA-L
SMILES: CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC(=O)C(=C)Br)S(=O)(=O)[O-])C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]
EINECS: 暂无
