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Xanthylium,3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt, sodium salt (1:1)(CAS No. 3520-42-1)

Xanthylium,3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt, sodium salt (1:1) C27H29N2O7S2.Na (cas 3520-42-1) Molecular Structure

3520-42-1 Structure

Identification and Related Records

【Name】
Xanthylium,3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt, sodium salt (1:1)
【CAS Registry number】
3520-42-1
【Synonyms】
Ammonium,[6-(diethylamino)-9-(2,4-disulfophenyl)-3H-xanthen-3-ylidene]diethyl-,hydroxide, inner salt, sodium salt (8CI)
C.I. Acid Red 52 (6CI)
Xanthylium,3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, hydroxide, inner salt, sodiumsalt
Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt,sodium salt (9CI)
Acid Leather Red KB
Acid Red 52
Acid Red B-SF
Acid Rhodamine B
Acid Rose B
Amacid Rhodamine B
Amido Rhodamine B
Brilliant Superlan Rhodamine 2B
Brilliant Superlan Rhodamine B
C.I. 45100
Colocid Rhodamine B
Conacid Red EB
Covasol Red W 4002
Daiwa IJ Red 207H
DinacidRhodamine B
Duasyn Acid Rhodamine B 01
Dyacid Red 4B
Dycosacid Rhodamine B
Food Color Red No.106
Food Red 106
Food Red No. 106
Hispacid Brilliant Pink B
Japan Red 106
Japan Red No. 106
Kayacyl Rhodamine FB
Kayaku Acid Rhodamine BH
Kiton Red 620
Kiton Red S
Kiton Rhodamine B
Kyton Red
Libacid Rhodamine LB
Lissamine Rhodamine B
Nylosan Rhodamine B
Pacid Rhodamine B
Phloxinerhodamine
Pro-Jet Red OAM
Rakuto Acid Rhodamine
Ravi Acid Rhodamine B
Red 106
Sandolan Rhodamine E-B400
Simacid Red 23011
Solar Rhodamine B
Sulfacid Brilliant Pink 3B
SulfacidBrilliant Pink 3B 1150
Sulforhodamin B
Vibra Color Red ARE 52
Vicoacid Red 52Y
Xylene Red B
【EINECS(EC#)】
222-529-8
【Molecular Formula】
C27H29N2O7S2.Na (Products with the same molecular formula)
【Molecular Weight】
580.64813
【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
【InChIKey】
SXQCTESRRZBPHJ-UHFFFAOYSA-M
【Canonical SMILES】
CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
【MOL File】
3520-42-1.mol

Chemical and Physical Properties

【Appearance】
powder
【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Water】
methanol: 1 mg/mL
【Solubilities】
methanol: 1 mg/mL
【Computed Properties】
Molecular Weight:580.64813 [g/mol]
Molecular Formula:C27H29N2NaO7S2
H-Bond Donor:0
H-Bond Acceptor:8
Rotatable Bond Count:6
Exact Mass:580.131387
MonoIsotopic Mass:580.131387
Topological Polar Surface Area:147
Heavy Atom Count:39
Formal Charge:0
Complexity:1150
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:2

Safety and Handling

【Safety Statements 】
22-24/25

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.

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