Cuprate(3-), [mu-[4-[2-[3,3'-di(hydroxy-kappaO)-4'-[2-[2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl]diazenyl-kappaN1][1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, hydrogen, compd. with 2,2'-iminobis[ethanol] (1:3:3)

HCID 175262

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Basic information

CAS: 72906-64-0
Standard SMILES: O=S(=O)([O-])c1ccc2c(N=Nc3ccc(-c4ccc(N=Nc5c([O-])c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc56)c([O-])c4)cc3[O-])c([O-])ccc2c1.OCCNCCO.OCCNCCO.OCCNCCO.[Cu+2].[Cu+2].[H+].[H+].[H+]
InChIKey: YJQWEHCEGAOYCV-UHFFFAOYSA-J
Molecular formula: C44H51Cu2N7O19S3
Average molar mass: 1,205.2 g/mol
Monoisotopic mass: 1,203.09938

Overview

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Names & identifiers

Preferred name: Cuprate(3-), [mu-[4-[2-[3,3'-di(hydroxy-kappaO)-4'-[2-[2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl]diazenyl-kappaN1][1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, hydrogen, compd. with 2,2'-iminobis[ethanol] (1:3:3)
IUPAC: dicopper;hydron;tris(2-(2-hydroxyethylamino)ethanol);3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

Names & synonyms

EINECS 277-010-9RefChem:579786Cuprate(3-), [.mu.-[4-[2-[3,3'-di(hydroxy-.kappa.O)-4'-[2-[2-(hydroxy-.kappa.O)-6-sulfo-1-naphthalenyl]diazenyl-.kappa.N1][1,1'-biphenyl]-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, hydrogen, compd. with 2,2'-iminobis[ethanol] (1:3:3)72906-64-0DTXSID101015201Copper(2+) hydrogen 4-[(E)-{3,3'-dioxido-4'-[(E)-(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl][1,1'-biphenyl]-4-yl}diazenyl]-3-oxidonaphthalene-2,7-disulfonate--2,2'-azanediyldi(ethan-1-ol) (2/3/1/3)dicopper;hydron;2-(2-hydroxyethylamino)ethanol;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

Database identifiers

CAS: 72906-64-0
PubChem CID: 175262
DTXSID: DTXSID101015201
EC Number: 277-010-9

Properties

Computed structural properties

Topological polar surface area: 496 Å²
Hydrogen bond donors: 12
Hydrogen bond acceptors: 26
Rotatable bonds: 17
Heavy atoms: 75
Formal charge: 0
Complexity: 1,640

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (8 of 8) of all reports.

Not Classified

Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

Chemistry & industry

Uses & manufacturing

General Manufacturing Information · 1 item

Cuprate(3-), [.mu.-[4-[2-[3,3'-di(hydroxy-.kappa.O)-4'-[2-[2-(hydroxy-.kappa.O)-6-sulfo-1-naphthalenyl]diazenyl-.kappa.N1][1,1'-biphenyl]-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, hydrogen, compd. with 2,2'-iminobis[ethanol] (1:3:3): ACTIVE

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