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Xanthylium,9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, chloride, sodium salt (1:1:2)(CAS No. 37299-86-8)

Xanthylium,9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, chloride, sodium salt (1:1:2) C29H31N2O5.Cl.2Na (cas 37299-86-8) Molecular Structure

37299-86-8 Structure

Identification and Related Records

【Name】
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 Registry number】
37299-86-8
【Synonyms】
Ethanaminium,N-[9-(2,4-dicarboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-,chloride, disodium salt
Xanthylium,9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, chloride, disodium salt (9CI)
Rhodamine Wt
【Molecular Formula】
C29H31 N2 O5 . Cl . 2 Na (Products with the same molecular formula)
【Molecular Weight】
567.03
【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-]
【MOL File】
37299-86-8.mol

Chemical and Physical Properties

【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Computed Properties】
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

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.

Supplier Location

Top Suppliers

Shanghai Hope Chem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-61723543
Ningbo Zhengzhang Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:+86-21-64303067

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