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Home> Hot Product Listed X   > Xanthylium,9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, chloride, sodium salt (1:1:2)

Xanthylium,9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, chloride, sodium salt (1:1:2)

Iupac Name:disodium
4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,
3-dicarboxylate chloride
CAS No.:37299-86-8
Molecular Weight:567.03
Molecular Formula:C29H31 N2 O5 . Cl . 2 Na (Products with the same molecular formula)
MOL File:37299-86-8.mol
Names and Identifiers
Synonyms

Ethanaminium,N-[9-(2,4-dicarboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-,chloride, disodium saltRhodamine WtXanthylium,9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, chloride, sodium salt (1:1:2) Xanthylium,9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, chloride, disodium salt (9CI)

Inchi
InChI=1S/C29H30N2O5.ClH.2Na/c1-5-30(6-2)19-10-13-22-25(16-19)36-26-17-20(31(7-3)8-4)11-14-23(26)27(22)21-12-9-18(28(32)33)15-24(21)29(34)35;;;/h9-17H,5-8H2,1-4H3,(H-,32,33,34,35);1H;;/q;;2*+1/p-2
Canonical Smiles
CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Cl-]
Properties
Density
g/cm3
Boiling Point
°Cat760mmHg
Flash Point
°C
Safety and Handling
Safety Statements
Moderately toxic by intravenous route. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−, NOx, and Na2O. See also CHLORIDES.
Safety

Moderately toxic by intravenous route. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl, NOx, and Na2O. See also CHLORIDES.

Reach Info
MSDS

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Computational chemical data

Molecular Weight:566.9835 [g/mol]
Molecular Formula:C29H29ClN2Na2O5
H-Bond Donor:0
H-Bond Acceptor:7
Rotatable Bond Count:6
Exact Mass:566.156039
MonoIsotopic Mass:566.156039
Topological Polar Surface Area:95.7
Heavy Atom Count:39
Formal Charge:0
Complexity:925
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:4