Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt

Basic Information

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CAS Number

116-95-0

Molecular Formula

C27H32N2O6S2

Molecular Weight

544.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

Not available

Boiling Point

°Cat760mmHg

Vapor Pressure

No data available

SMILES

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CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)[O-]

InChI

InChI=1S/C27H32N2O6S2/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)

InChIKey

IKHKJYWPWWBSFZ-UHFFFAOYSA-N

LogP

5.92380

Complexity

1050

Safety Information

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Hazard Statement

Synonyms & References

English

116-95-0
Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt
AKOS015916398
P0597
Azure Blue VX
DTXSID8047008
Acid Blue
Brilliant Acid Blue
Xylene Blue
Alphazurine G
CHEMBL4302218
Sulfan Blue parent
Acidblue
Acid blue 1
PATENT BLUE V
Carmine Blue V
N-[4-[[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium hydroxide inner salt
E131
CI 42770
ACID BLUE 3
CI NO 42045
CI NO 42090
PATENT BLUE
ERIOGLAUCINE
SULPHAN BLUE
ACID BLUE
[4-[[4-(diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt
N-[4-[[4-(Diethylamino)phenyl](2-sulfonato-4-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium
N,N-Diethyl-4-[alpha-(2,4-disulfonatophenyl)-4-(diethylamino)
4-{[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium

MDL Number

MFCD00012119

Customs Code

3204120000

FAQ

What regulatory guidelines apply to Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt (CAS: 116-95-0)?

The compound is subject to regulation under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous properties, REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the European Union, and FDA (Food and Drug Administration) or EPA (Environmental Protection Agency) regulations for use in pharmaceuticals or environmental applications. Specific requirements include hazard communication, classification, and labeling according to the GHS, and registration and reporting under REACH.

Are there alternatives to Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt (CAS: 116-95-0) in synthesis?

Synthesis alternatives may include using related compounds such as N-ethyl-4-(2,4-disulfophenyl)-4-(2-hydroxy-5-(diethylamino)phenyl)-2,5-cyclohexadien-1-ylideneethanaminium or similar heterocyclic compounds. Other alternatives could involve using different reagents like diethylamine or sulfonic acids for similar functional groups, but these would need to be evaluated for compatibility and efficiency in the specific synthetic process.

What is the market or research trend for Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt (CAS: 116-95-0)?

Market trends for this compound indicate growing interest in specialized pharmaceutical and chemical applications, particularly in areas requiring precise molecular targeting. Research trends focus on the compound's potential in drug discovery and development, with a focus on its unique chemical structure and properties. Economic trends show increasing demand due to its use in advanced research and development, though pricing remains niche and dependent on supply and demand dynamics in specialized markets.

How should waste containing Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt (CAS: 116-95-0) be handled?

Waste containing this compound should be collected in appropriate containers and stored under controlled conditions to prevent degradation or environmental release. Disposal should be conducted by a licensed professional hazardous waste handler, following proper incineration or chemical treatment methods as per regulatory requirements. Precautions include ensuring containment, minimizing exposure, and adhering to local and national waste disposal regulations to protect human health and the environment.