CAS 118-07-0

1-(2-Methyl-4-sulfophenyl)-3-methyl-5-pyrazolone

Description:

1-(2-Methyl-4-sulfophenyl)-3-methyl-5-pyrazolone, commonly known as a dye intermediate, is characterized by its chemical structure that includes a pyrazolone ring, a methyl group, and a sulfonic acid group. This compound is typically a solid at room temperature and is soluble in water due to the presence of the sulfonic acid group, which enhances its polarity. It exhibits a range of colors, often used in dye formulations, particularly in textiles and paper industries. The presence of the sulfonic group also contributes to its ability to form stable complexes with metal ions, making it useful in various applications. Additionally, this compound may exhibit biological activity, which necessitates careful handling and consideration of safety protocols during its use. Its stability under normal conditions allows for its application in various chemical processes, although it may be sensitive to extreme pH levels or oxidative conditions. Overall, this compound plays a significant role in the synthesis of dyes and pigments, contributing to its importance in industrial applications.

Formula: C₁₁H₁₂N₂O₄S

InChI: InChI=1/C11H12N2O4S/c1-7-5-9(18(15,16)17)3-4-10(7)13-11(14)6-8(2)12-13/h3-5H,6H2,1-2H3,(H,15,16,17)

InChI key: InChIKey=AJPUJTAMBSRTEG-UHFFFAOYSA-N

SMILES: CC1=C(C=CC(S(=O)(=O)O)=C1)N2N=C(C)CC2=O

Synonyms:

• 1-(2-Methyl-4-sulfophenyl)-3-methyl-5-pyrazolone
• 3-Methyl-1-(2-methyl-4-sulfophenyl)-5-pyrazolone
• 3-Methyl-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
• 3-Methyl-4-(3-methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzenesulfonic acid
• 3-Methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
• 3-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
• 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)-m-toluenesulfonic acid
• 4-(3-Methyl-5-pyrazolone)-m-toluenesulfonic acid
• 4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methylbenzenesulfonic acid
• Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-
• m-Toluenesulfonic acid, 4-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
• 6-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
• MLS000714417
• 1-(2'-Methyl-4'-sulphophenyl)-3-methyl-5-pyrazolone
• EINECS 204-232-5
• 4-(5-keto-3-methyl-4H-pyrazol-1-yl)-3-methyl-benzenesulfonic acid
• SMR000274396
• 3-methyl-4-(3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid
• 3-Methyl-1-(2-methyl-4-sulfophenyl)-2-pyrazolin-5-one
• A2192/0092184
• 1-(2-Methyl-4-sulfophenyl)-3-methyl-1H-pyrazol-5(4H)-one