Pyridinium,3-carboxy-1-[4-[[3-[[[(2-carboxy-5-sulfophenyl)azo]phenylmethyl]azo]-2-hydroxy-5-sulfophenyl]amino]-6-[(2-chloro-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]-,copper complex
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Pyridinium,3-carboxy-1-[4-[[3-[[[(2-carboxy-5-sulfophenyl)azo]phenylmethyl]azo]-2-hydroxy-5-sulfophenyl]amino]-6-[(2-chloro-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]-,copper complex
structure -
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CAS No:
89797-01-3
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Formula:
C35H19ClCuN10O14S3.H.3Na
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Chemical Name:
Pyridinium,3-carboxy-1-[4-[[3-[[[(2-carboxy-5-sulfophenyl)azo]phenylmethyl]azo]-2-hydroxy-5-sulfophenyl]amino]-6-[(2-chloro-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]-,copper complex
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Synonyms:
Cuprate(4-),[3-carboxy-1-[4-[[3-[2-[[2-[2-(carboxy-κO)-5-sulfophenyl]diazenyl-κN2]phenylmethyl]diazenyl-κN1]-2-(hydroxy-κO)-5-sulfophenyl]amino]-6-[(2-chloro-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]pyridiniumato(7-)]-,sodium hydrogen (1:3:1);Cuprate(4-),[3-carboxy-1-[4-[[3-[[[(2-carboxy-5-sulfophenyl)azo]phenylmethyl]azo]-2-hydroxy-5-sulfophenyl]amino]-6-[(2-chloro-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]pyridiniumato(7-)]-,trisodium hydrogen;Cuprate(4-),[3-carboxy-1-[4-[[3-[[[[2-(carboxy-κO)-5-sulfophenyl]azo-κN2]phenylmethyl]azo-κN1]-2-(hydroxy-κO)-5-sulfophenyl]amino]-6-[(2-chloro-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]pyridiniumato(7-)]-,trisodium hydrogen;Pyridinium,3-carboxy-1-[4-[[3-[[[(2-carboxy-5-sulfophenyl)azo]phenylmethyl]azo]-2-hydroxy-5-sulfophenyl]amino]-6-[(2-chloro-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]-,copper complex;C.I. Reactive Blue 216;Reactive Blue 216;Kayacelon React Blue CN-BL;C.I. 137155;97553-91-8;131257-18-6
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CAS No:
Pyridinium,3-carboxy-1-[4-[[3-[[[(2-carboxy-5-sulfophenyl)azo]phenylmethyl]azo]-2-hydroxy-5-sulfophenyl]amino]-6-[(2-chloro-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]-,copper complex Basic Attributes
1068.77
1073.954792
404-670-9
Safety Information
2-43
22-24-35-37
E,Xi
|Warning|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|Aggregated GHS information provided by 11 companies from 2 notifications to the ECHA C&L Inventory.
Pyridinium,3-carboxy-1-[4-[[3-[[[(2-carboxy-5-sulfophenyl)azo]phenylmethyl]azo]-2-hydroxy-5-sulfophenyl]amino]-6-[(2-chloro-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]-,copper complex Use and Manufacturing
Cuprate(4-), [3-carboxy-1-[4-[[3-[2-[[2-[2-(carboxy-.kappa.O)-5-sulfophenyl]diazenyl-.kappa.N2]phenylmethyl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)-5-sulfophenyl]amino]-6-[(2-chloro-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]pyridiniumato(7-)]-, sodium hydrogen (1:3:1): ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:1075.8
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:1
Exact Mass:1073.954792
Monoisotopic Mass:1073.954792
Topological Polar Surface Area:399
Heavy Atom Count:67
Formal Charge:5
Complexity:1990
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:6
Compound Is Canonicalized:Yes
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