4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid

Basic Information

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CAS Number

89-36-1

Molecular Formula

C10H10N2O4S

Molecular Weight

254.26 g/mol

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

Basic Physical Properties

Melting Point

>252 °C (dec.)

Boiling Point

477 °C

Density

1.4456 (rough estimate)

Water Solubility

5G/L(20ºC)

Refractive Index

1.5650 (estimate)

SMILES

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CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)

InChIKey

CWJQQASJVVAXKL-UHFFFAOYSA-N

LogP

1.0459

Topological Polar Surface Area

87.04 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

443

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

DTXSID0044999
3-Methyl-1-(sulfophenyl)-2-pyrazolin-5-on
4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid
D91279
CWJQQASJVVAXKL-UHFFFAOYSA-N
4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid
DTXCID8024999
1-(4-sulphophenyl) 3-methyl-2-pyrazolin-5-one
AI3-08532
AKOS000295284
4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
CAS-89-36-1
EINECS 201-901-3
NSC26429
CS-W014611
Tox21_301281
CHEBI:192663
5-chloro-6-methoxypyridin-3-yl-3-boronic?acid
4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonicacid
NSC4752
AC-18395
SCHEMBL2223232
Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
89-36-1
EC 201-901-3
4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid
1-(4- Sulphophenyl)-3-methyl-5-pyrazolone
LS-07401
NCGC00256170-01

MDL Number

MFCD00020756

Customs Code

2933199090

FAQ

What is 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 89-36-1)?

4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 89-36-1) is an organic compound with the chemical formula C9H10N2O3S. It features a benzenesulfonic acid core with a substituted pyrazole ring, making it a key intermediate in pharmaceutical and chemical synthesis. The compound is typically a solid at room temperature and exhibits acidic properties due to the sulfonic acid group.

What are the main uses of 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 89-36-1)?

This compound is widely used in pharmaceuticals for drug development, particularly in anti-inflammatory and antiviral agents. It also serves as a precursor in agrochemicals, dyes, and materials science. Its applications span research, industrial processes, and specialty chemical formulations due to its reactivity and structural versatility.

Is 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 89-36-1) safe?

Safety of 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 89-36-1) depends on handling conditions. It may cause skin or eye irritation and is corrosive due to the sulfonic acid group. Always use personal protective equipment (PPE) and follow safety data sheet (SDS) guidelines. Proper ventilation and adherence to industrial safety standards are essential for safe handling.

How should 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 89-36-1) be stored?

Store 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 89-36-1) in a cool, dry place at 2-8°C, away from light. Use airtight, moisture-proof containers to maintain stability. Avoid exposure to moisture and heat to prevent degradation. Ensure storage areas are well-ventilated and follow chemical storage best practices for safety.