Sodium 3-({[(1Z,4Z)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate

Basic Information

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CAS Number

6104-59-2

Molecular Formula

C45H44N3NaO7S2

Molecular Weight

826 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

174-180°C

Water Solubility

Soluble in water.

Solubility

H2O: soluble10mg/mL

SMILES

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CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC.[Na+]

InChI

InChI=1S/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);/q;+1/p-1

InChIKey

NKLPQNGYXWVELD-UHFFFAOYSA-M

LogP

10.49970

Complexity

1500

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

Acid Cyanine 6B
CBB R-250
Acid Blue 83
HB0739
D78484
Benzenemethanaminium, N-(4-((4-((4-ethoxyphenyl)amino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, monosodium salt
6104-59-2
C45H44N3O7S2Na
SCHEMBL1925726
Benzenemethanaminium, N-(4-((4-((4-ethoxyphenyl)amino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
Kenacid blue
Alizarin Rubinol 5G
Brilliant Blue R250
MFCD00041762
COOMASSIE BRILLIANT BLUE R
Coomassie Blue R-250, Technical Grade
sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
bril-liant blue r
Solar Cyanine 6B
Brilliant indocyanin 6B
Q418516
EINECS 228-060-5
COOMASSIE BRILLIANT BLUE R [MI]
sodium 3-(((4-((E)-(4-(4-ethoxyphenylamino)phenyl)((E)-4-(ethyl(3-sulfonatobenzyl)iminio)cyclohexa-2,5-dienylidene)methyl)phenyl)(ethyl)amino)methyl)benzenesulfonate
Brilliant Blue R-250
CBB R250
CBBR
Coomassie blue R-250
Benzenemethanaminium, N-(4-((4-((4-ethoxyphenyl)amino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, hydroxide, inner salt, monosodium salt
Hydrogen (4-(4-(p-ethoxyanilino)-4'-(ethyl(m-sulphonatobenzyl)amino)benzhydrylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(m-sulphonatobenzyl)ammonium, monosodium salt
AcidBlue83

MDL Number

MFCD00041762

Customs Code

32041200

FAQ

What is Sodium 3-({[(1Z,4Z)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-59-2)?

Sodium 3-({[(1Z,4Z)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-59-2) is a complex organic compound containing a sulfonate group and a substituted benzene ring. It is typically a white to off-white crystalline powder with high water solubility. The compound is known for its amphiphilic nature and potential applications in advanced chemical systems due to its functional groups and molecular structure.

What are the main uses of Sodium 3-({[(1Z,4Z)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-59-2)?

Sodium 3-({[(1Z,4Z)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-59-2) is primarily used in pharmaceutical research for its potential as a surfactant or emulsifying agent. It may also find applications in materials science and biochemistry due to its chemical structure and functional groups, which can interact with various biological and chemical systems.

Is Sodium 3-({[(1Z,4Z)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}mylene)-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-59-2) safe?

Sodium 3-({[(1Z,4Z)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-59-2) is generally considered safe when handled properly. However, it should be used with caution, as it may cause mild irritation if in contact with skin or eyes. Safety data sheets and proper protective equipment are recommended for safe handling in laboratory or industrial settings.

How should Sodium 3-({[(1Z,4Z)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-59-2) be stored?

Sodium 3-({[(1Z,4Z)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-59-2) should be stored in a cool, dry, and dark place, preferably at 2-8°C. It should be kept in a sealed, airtight container to prevent moisture absorption and contamination. Avoid exposure to light and keep away from incompatible substances to ensure stability and safety.