EINECS 287-594-7 structure

EINECS 287-594-7

potassium;disodium;5-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate

Also Known As: Benzene,[(chlorodifluoromethyl)thio]|2,7-Naphthalenedisulfonic acid, 5-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, potassium sodium salt|2,7-Naphthalenedisulfonic acid, 5-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?)|2,7-Naphthalenedisulfonic acid, 5-[[4-[bis[2-[(2-chloroethyl)sulfonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, potassium sodium salt|2,7-Naphthalenedisulfonic acid, 5-[[4-[bis[2-[(2-chloroethyl) sulfonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2 -yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, potassium sodium salt|5-((4-(Bis(2-((2-chloroethyl)sulphonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, potassium sodium salt|5-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid, potassium sodium salt|potassium,disodium,(3Z)-5-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate

CAS: 85554-62-7
Molecular Formula C27H25Cl3KN7Na2O14S5
Molecular Weight 1020.8561 g/mol
LogP -6.6193
Topological Polar Surface Area 381.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 21
Rotatable Bonds 15
Exact Mass 1020.8561
Monoisotopic Mass 1020.8561
Heavy Atoms 59
Complexity 1830.0

Chemical Identifiers

CAS Number 85554-62-7
SMILES C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)Cl)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl)O)S(=O)(=O)[O-].[Na+].[Na+].[K+]
InChIKey PRYHJKHDSPVAIJ-UHFFFAOYSA-K

Product Overview

EINECS 287-594-7 (CAS 85554-62-7), with molecular formula C27H25Cl3KN7Na2O14S5 and molecular weight 1020.8561 g/mol. IUPAC: potassium;disodium;5-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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