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

Basic Information

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CAS Number

6104-58-1

Molecular Formula

C47H48N3NaO7S2

Molecular Weight

854 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

100 °C

Density

>1.0 (20 C)

Water Solubility

Soluble in water (50 mg/ml) and ethanol (40 mg/ml).

Solubility

H2O: soluble1mg/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=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+]

InChI

InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1

InChIKey

RWVGQQGBQSJDQV-UHFFFAOYSA-M

LogP

11.19820

Complexity

1610

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H370 Causes damage to organs
Specific target organ toxicity, single exposure

Hazard Class

Class 3 Class 3

Synonyms & References

English

Bucacid Brilliant Indocyanine G
Brilliant Blue G
Water Blue 150
Benzyl Cyanine G
M1ZRX790SI
BBG [Dye]
Hydrogen (4-(4-(p-ethoxyanilino)-4'-(ethyl(m-sulphonatobenzyl)amino)-2'-methylbenzhydrylene)-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)(m-sulphonatobenzyl)ammonium, monosodium salt
Silk Fast Cyanine G
Coomassie Blue G-250
Brilliant Acid Cyanine G
DYME
Benzenemethanaminium, N-(4-((4-((4-ethoxyphenyl)amino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
Impero Azure G
Acid Brilliant Cyanine G
FD&C Green No. 3;Food green 3;C.I. 42053
Brilliant Acid Blue GI
tissueblue
BRILLIANT BLUE G [ORANGE BOOK]
Sodiummolybdatedihydrate
Coomassie Blue G 250
6104-58-1
BBG
NSC 328382
AT10516
Benzenemethanaminium, N-(4-((4-((4-ethoxyphenyl)amino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, hydroxide, inner salt, monosodium salt
Bbg-250
Amacid Brilliant Cyanine G
Coomassie Brilliant Blue G
EC 228-058-4
C.I. Acid Blue 90 (VAN)
EINECS 228-058-4

MDL Number

MFCD00078482

Customs Code

32041200

FAQ

What is Sodium 3-({[(1E,4E)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methyl-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-58-1)?

Sodium 3-({[(1E,4E)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methyl-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate is a complex organic compound with the CAS number 6104-58-1. It contains multiple aromatic rings, sulfonate groups, and is a sodium salt, indicating its potential use in aqueous environments. The compound is known for its structural complexity and is typically used in specialized chemical applications.

What are the main uses of Sodium 3-({[(1E,4E)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methyl-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-58-1)?

Sodium 3-({[(1E,4E)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methyl-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-58-1) is primarily used in pharmaceutical research and development, particularly in the synthesis of complex organic molecules. It may also find application in specialized industrial processes due to its functional groups and chemical reactivity.

Is Sodium 3-({[(1E,4E)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methyl-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-58-1) safe?

The safety of Sodium 3-({[(1E,4E)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methyl-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-58-1) depends on its handling and application. As a complex chemical, it may require proper protective equipment and should be handled in well-ventilated areas. It is important to follow safety guidelines and regulations when working with this compound to ensure minimal risk.

How should Sodium 3-({[(1E,4E)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methyl-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-58-1) be stored?

Sodium 3-({[(1E,4E)-4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methyl-2,5-cyclohexadien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS: 6104-58-1) should be stored in a cool, dry, and dark place, away from moisture and light. It is recommended to keep it in a sealed container to maintain its stability and prevent degradation.