AG00ELLK

63451-29-6 | FErrozine mono-sodium salt hydrate

AG00ELLK

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CAS Number	63451-29-6
Catalog Number	AG00ELLK(AGN-PC-0T8IHV)
Chemical Name	FErrozine mono-sodium salt hydrate
EC Number	274-196-3
IUPAC Name	sodium;4-[3-pyridin-2-yl-6-(4-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonate;hydrate
InChI	InChI=1S/C20H14N4O6S2.Na.H2O/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;1H2/q;+1;/p-1
InChI Key	MBOKSYFCYXIJRZ-UHFFFAOYSA-M
MDL Number	MFCD00078417
Molecular Formula	C20H15N4NaO7S2
Molecular Weight	510.4755
SMILES	O.[Na+].N1=C(C=CC=C1)C=1N=NC(=C(N1)C1=CC=C(C=C1)S(=O)(=O)[O-])C1=CC=C(C=C1)S(=O)(=O)O
Synonyms	Ferrozine mono-sodium salt hydrate, 63451-29-6, MFCD00150794, 69898-45-9, 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine-4',4''-disulfonic acid monosodium salt hydrate, FerroZine™ Iron Reagent, ZX-AFC000969, C20H13N4O6S2.Na.H2O, 6725AH, BI9877, AKOS025310808, PDT disulfonate monosodium salt hydrate, 5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine-4,4 -disulfonic acid monosodium salt hydrate, 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine-p,p inverted exclamation marka-disulfonic acid monosodium salt hydrate, 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine-p,p'-disulfonic acid monosodium salt hydrate, 97%, Sodium 4-[3-(pyridin-2-yl)-6-(4-sulphophenyl)-1,2,4-triazin-5-yl]benzenesulphonate hydrate,

Complexity	834
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	510.028g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	510.471g/mol
Monoisotopic Mass	510.028g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	181A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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