AG0039HP

3520-42-1 | Hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium sodium salt

AG0039HP

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CAS Number	3520-42-1
Catalog Number	AG0039HP(AGN-PC-0RALQZ)
Chemical Name	Hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium sodium salt
EC Number	222-529-8
IUPAC Name	sodium;4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-disulfonate
InChI	InChI=1S/C27H30N2O7S2.Na/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
InChI Key	SXQCTESRRZBPHJ-UHFFFAOYSA-M
MDL Number	MFCD00010180
Molecular Formula	C27H29N2NaO7S2
Molecular Weight	580.6481
SMILES	O=S(C1=CC=C(C2=C3C=CC(N(CC)CC)=CC3=[O+]C4=C2C=CC(N(CC)CC)=C4)C(S(=O)([O-])=O)=C1)([O-])=O.[Na+]
UNII	821LWZ3R6R
Synonyms	Acid Red, acid red, isoxanthene, C.I. 45100, C.I. acid red 52, caries check, erio acid red, kiton red S, lissamine rhodamine B, lissamine rhodamine B, sodium salt, R-106, sulforhodamine B, sulforodamine B, sulphorhodamine B, Acid red 52, Sulforhodamine B, 3520-42-1, Acid Rhodamine B, Acid Red, Fenazo Pink XXB, Amido Rhodamine B, Solar Rhodamine B, C.I. Acid Red 52, Acid Red XB, Amacid Rhodamine B, Erio Acid Red XB, Erio Acid Red XBC, Acid Leather Red KB, Pontacyl Brilliant Pink, Xylene Red B, Phloxinrhodamine, Kiton Rhodamine B, Xylene Red, Brilliant Acid Rhodamine B, Red No. 106, Red 106, UNII-821LWZ3R6R, Aizen Food Red No. 106, Food Red 106, Brilliant Superlan Rhodamine B, CCRIS 2446, Brilliant Superlan Rhodamine 2B, Food red no. 106, EINECS 222-529-8, Lissamine rhodamine B, Sulforhodamine B sodium salt, CI 45100, 821LWZ3R6R, Sulforhodamine B (sodium salt), Sulforhodamine B on Diatomaceous earch, C.I. 45100, AK176284, Hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium, sodium salt, Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, hydroxide, inner salt, sodium salt, Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt, sodium salt, MLS001195097, Ammonium, (6-(diethylamino)-9-(2,4-disulfophenyl)-3H-xanthen-3-ylidene)diethyl-, hydroxide, inner salt, sodium salt, Ethanaminium, N-(6-(diethylamino)-9-(2,4-disulfophenyl)-3H-xanthen-3-ylidene)-N- -ethyl-, hydroxide, inner salt, sodium salt, N-(6-(Diethylamino)-9-(2,4-disulfophenyl)-3H-xanthen-3-ylidene)-N- -ethyl ethanaminium, hydroxide, inner salt, sodium salt, N-(6-(Diethylamino)-9-(2,4-disulfophenyl)-3H-xanthen-3-ylidene)-N- -ethylethanaminium, hydroxide, inner salt, sodium salt, MFCD00010180, SMR000554424, Kiton Red S, Sodium 4-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)benzene-1,3-disulfonate, Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt, sodium salt (1:1), MLS003878226, C27H29N2NaO7S2, CHEMBL1306565, SCHEMBL16593265, SXQCTESRRZBPHJ-UHFFFAOYSA-M, HMS2883G10, LISSAMINE RHODAMINE B-200, HY-D0974, AKOS000283079, AKOS015903434, AKOS027250844, CS-7535, 11119-62-3, LS-17337, T164, A0600, F0143, FT-0621855, ST51016151, C20348, LISSAMINE RHODAMINE B-200 ON CELITE 5%, J-020000, I14-18855, potassium 4-[3-(diethylamino)-6-(diethyliminio)xanthen-9-yl]benzene-1,3-disulfonate, sodium 4-[3-(diethylamino)-6-(diethyliminio)xanthen-9-yl]benzene-1,3-disulfonate, sodium;4-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]benzene-1,3-disulfonate, 4-[3-(diethylamino)-6-(diethylylidene)xanthen-9-yl]benzene-1,3-disulfonic acid , sodium salt, Lissamine Rhodamine, C27H30N2O7S2.Na, C27H30N2O7S2, EINECS 220-025-2, C27-H30-N2-O7-S2.Na, C27-H30-N2-O7-S2, CID9916275, Acid Red 52, dye content 75% - 1G 1g, 2609-88-3, Hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium, Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt, 4-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzene-1,3-disulfonate, Hydrogen 3, 6- bis(diethylamino)- 9- (2, 4- disulphonatophenyl)xanthylium, sodium salt, Sodium 4-(3-diethylamino-6-diethylazaniumylidene-xanthen-9-yl)benzene-1,3-disulfonate, sodium 4-[3,6-bis(diethylamino)-2,7-dimethylxanthenium-9-yl]benzene-1,3-disulfonate, Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, hydroxide, inner salt, Ammonium, [6-(diethylamino)-9-(2,4-disulfophenyl)-3H-xanthen-3-ylidene]diethyl-, hydroxide, inner salt, Ammonium, [6-(diethylamino)-9-(2,4-disulfophenyl)-3H-xanthen-3-ylidene]diethyl-, hydroxide, inner salt, sodium salt, Ethanaminium, N-[6-(diethylamino)-9-(2,4-disulfophenyl)-3H-xanthen-3-ylidene]-N-ethyl-, hydroxide, inner salt, sodium salt, Hydrogen 3, 6- bis(diethylamino)- 9- (2, 4- disulphonatophenyl)xanthylium, sodium salt (CI 45100),

Complexity	1150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	580.131g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	580.646g/mol
Monoisotopic Mass	580.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	147A^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

Lot Number