AG003O01

52698-84-7 | BATHOCUPROIN SULFONATE HYDRATE

AG003O01

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CAS Number	52698-84-7
Catalog Number	AG003O01(AGN-PC-0SDF2S)
Chemical Name	BATHOCUPROIN SULFONATE HYDRATE
EC Number	258-111-7
IUPAC Name	disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate
InChI	InChI=1S/C26H20N2O6S2.2Na/c1-15-25(35(29,30)31)21(17-9-5-3-6-10-17)19-13-14-20-22(18-11-7-4-8-12-18)26(36(32,33)34)16(2)28-24(20)23(19)27-15;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
InChI Key	RNGKZLRAVYPLJC-UHFFFAOYSA-L
MDL Number	MFCD00149974
Molecular Formula	C26H20N2Na2O6S2
Molecular Weight	566.5563
SMILES	[Na+].[Na+].CC1(NC2=C3N=C(C=C(C3=CC=C2C(=C1S(=O)(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1)C)S(=O)(=O)[O-]
Synonyms	52698-84-7, Disodium Bathocuproinedisulfonate, MFCD00011679, Bathocuproinedisulfonic acid, disodium salt hydrate, 97%, 98645-85-3, C26H18N2O6S2.2Na, 6733AF, Disodium bathocuproinedisulfonate</r>, GT0734, MFCD03012947, Bathocuproinedisulfonic acid sodium salt, SC-84981, FT-0622590, 2,9-Dimethyl-4,7-diphenyl-1,10-<R>phenanthroline disulfonate, 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate disodium salt, dipotassium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate, disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate, Sodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate, Bathocuproin sulfonate, Bathocuproine disulfonic acid, Bathocuproinedisulfonic acid disodium salt, C26H20N2O6S2.2Na, BATHOCUPROINSULFONATEHYDRATE, RNGKZLRAVYPLJC-UHFFFAOYSA-L, EINECS 258-111-7, NSC 123541, C26-H20-N2-O6-S2.2Na, Bathocuproine disulfonic acid, disodium salt, Bathocuproindisulfonic disodium salt hydrate, 97% 250mg, Bathocuproine Disulphonic Acid Disodium Salt 98.5% AR 100mg, 1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl-, disulfo deriv., disodium salt, 1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenylsulfonyl-, disulfo deriv., disodium salt (1:2), 2,9-Dimethyl-4,7-diphenyl-1,10-phenantrolinedisulfonic acid disodium salt, 1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl-, disulfo deriv, disodium salt, 1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl-, disulfo deriv.,disodium salt, 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline, disulpho derivative, disodium salt, 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthrolinedisulfonic acid disodium salt, 98%, mixture of isomers - 1G 1g,

Complexity	874
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	564.04g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	564.538g/mol
Monoisotopic Mass	564.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	157A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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