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REACH

Reaction product of: 2-[[4-amino-2-ureidophenylazo]-5-[(2-(sulfooxy)ethyl)sulfonyl]]benzenesulfonic acid with 2,4,6-trifluoropyrimidine and partial hydrolysis to the corresponding vinylsulfonyl derivative,mixed potassium/sodium salt

EC number: 424-250-9 | CAS number: -

Life Cycle description
Uses advised against

Reference substances

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IUPAC name:: 2-[4-(2,6 or 4,6 -Difluoro-pyrimidin-4-ylamino)-2-ureido-phenylazo]-5-(2-sulfooxy-ethanesulfonyl)-enzenesulfonic acid, mixed sodium, potassium salt

Inventory

Synonyms

Molecular and structural information

Molecular formula:: C19H16F2KN7NaO6S2
Molecular weight:: ca. 602.59
SMILES notation:: [Na].NC(=O)Nc1cc(Nc2nc(F)cc(F)n2)ccc1N.[O-]S(=O)(=O)OCCS(=O)(=O)c3ccc(N=C)c(c3)S(=O)(=O)[O-]
and
[K].NC(=O)Nc1cc(Nc2cc(F)nc(F)n2)ccc1N=Nc3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-]
InChl:: InChI=1S/C11H10F2N6O.C9H11NO9S3.Na.H/c12-8-4-9(13)19-11(18-8)16-5-1-2-6(14)7(3-5)17-10(15)20;1-10-8-3-2-7(6-9(8)21(13,14)15)20(11,12)5-4-19-22(16,17)18;;/h1-4H,14H2,(H3,15,17,20)(H,16,18,19);2-3,6H,1,4-5H2,(H,13,14,15)(H,16,17,18);;/p-2
and
InChI=1S/C19H17F2N7O10S3.K.H/c20-16-9-17(26-18(21)25-16)23-10-1-3-12(14(7-10)24-19(22)29)27-28-13-4-2-11(8-15(13)40(32,33)34)39(30,31)6-5-38-41(35,36)37;;/h1-4,7-9H,5-6H2,(H3,22,24,29)(H,23,25,26)(H,32,33,34)(H,35,36,37);;/p-2/b28-27+;;
Structural formula:

Related substances

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