4-[(4Z)-3-Methyl-4-{(2E,4E)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid

Basic Information

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CAS Number

27969-56-8

Molecular Formula

C25H22N4O8S2

Molecular Weight

570.61 g/mol

EINECS

248-752-0

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

Not available

Boiling Point

Not available

Density

1.50±0.1 g/cm3(Predicted)

Flash Point

Not available

Refractive Index

1.684

Vapor Pressure

Not available

SMILES

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OS(=O)(=O)c1ccc(cc1)N4/N=C(/C)\C(=C\C=C\C=C\C3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C4=O

InChI

InChI=1S/C25H22N4O8S2/c1-16-22(24(30)28(26-16)18-8-12-20(13-9-18)38(32,33)34)6-4-3-5-7-23-17(2)27-29(25(23)31)19-10-14-21(15-11-19)39(35,36)37/h3-15,22H,1-2H3,(H,32,33,34)(H,35,36,37)/b5-3+,6-4+,23-7-

InChIKey

ZYEKPKUEHLUSET-GSLHRLMQSA-N

LogP

2.980200000000001

pKa

-1.76±0.50(Predicted)

Topological Polar Surface Area

174.07999999999998 Å²

Hydrogen Bond Donor/Acceptor

2 / 12

Complexity

1370

Safety Information

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Hazard Statement

Synonyms & References

English

OXONOL 805 BLUE
4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadienylidene]-3-Benzenesulfonicacid
1,5-PENTAMETHIN-4,4'-BIS[1-(P-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE]
4-pentadienylidene]-3-methyl-5-oxo-1h-pyrazol-1-yl]--1h-pyrazol-4-yl]-
benzenesulfonicacid,4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)
p-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid
Benzenesulfonic acid, 4-(4,5-dihydro-4-(5-(5-hydroxy-3-Methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2,4-pentadienylidene)-3-Methyl-5-oxo-1H-pyrazol-1-yl)-
4-[3-methyl-4-[(1Z)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Benzenesulfonic acid,4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
Oxonol 805 Blue
Benzenesulfonic acid,4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-3-me
1,5-Pentamethin-4,4'-bis[1-(p-sulfophenyl)-3-methyl-5-pyrazolone]
4-pentadienylidene]-3-methyl-5-oxo-1h-pyrazol-1-yl]--1h-pyrazol-4-yl]
benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)

MDL Number

MFCD00213904

EC Number

248-752-0

FAQ

What is 4-[(4Z)-3-Methyl-4-{(2E,4E)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid (CAS: 27969-56-8)?

4-[(4Z)-3-Methyl-4-{(2E,4E)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid is a complex organic compound with a unique molecular structure. It is a sulfonic acid derivative of a pyrazole ring with specific substituents. This compound is characterized by its high solubility in water and its stability under neutral and slightly acidic conditions.

What are the main uses of 4-[(4Z)-3-Methyl-4-{(2E,4E)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid (CAS: 27969-56-8)?

4-[(4Z)-3-Methyl-4-{(2E,4E)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid is primarily used as a reagent in analytical chemistry and pharmaceutical research. It serves as a key intermediate in the synthesis of other compounds and has potential applications in drug discovery and development.

Is 4-[(4Z)-3-Methyl-4-{(2E,4E)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid (CAS: 27969-56-8) safe?

4-[(4Z)-3-Methyl-4-{(2E,4E)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid is generally considered safe under normal handling conditions. However, it is important to follow all safety guidelines, including the use of appropriate personal protective equipment (PPE) and proper ventilation. Direct contact with skin or ingestion can cause irritation and should be avoided.

How should 4-[(4Z)-3-Methyl-4-{(2E,4E)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid (CAS: 27969-56-8) be stored?

4-[(4Z)-3-Methyl-4-{(2E,4E)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid should be stored at room temperature in a dry, well-ventilated area. It should be kept away from direct sunlight and heat sources. The compound should be stored in a tightly sealed container to prevent moisture absorption and degradation. Proper labeling and segregation from incompatible materials are also recommended for safe storage.