2,5-Dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid

Basic Information

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CAS Number

84-57-1

Molecular Formula

C10H8Cl2N2O4S

Molecular Weight

323.15 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

346 °C (dec.)

Boiling Point

221℃

Density

1.5186 (rough estimate)

Refractive Index

1.6000 (estimate)

SMILES

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CC1=NN(C(=O)C1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C10H8Cl2N2O4S/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18/h3-4H,2H2,1H3,(H,16,17,18)

InChIKey

KCEIVWKDBLAQKL-UHFFFAOYSA-N

LogP

2.3527000000000005

Topological Polar Surface Area

87.04 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

516

Safety Information

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GHS Hazard Pictograms

H320

Hazard Statement

H320 Causes eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

2,5-Dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid
2,5-dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid
1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5(4H)-pyrazolone
Dichlorsulfofenyl-methylpyrazolon [Czech]
MLS002667397
1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone
SCHEMBL9770538
HMS3079M12
Benzenesulfonic acid,5-dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
W-104112
CHEMBL1705260
2,5-Dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
2,5-Dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
3-METHYL-1,2,5-DICHLORO-4-SULPHOPHENYLPYRAZOLE-5-ONE
1-(2 5-DICHLORO-4-SULFOPHENYL)-3-METHYL&
2,5-dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
UNII-3JM6K2RKX8
BENZENESULPHONIC ACID, 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-
Dichlorsulfofenyl-methylpyrazolon
3-Methyl-1,5-dichloro-4-sulfophenylpyrazole-5-one
84-57-1
J-002151
M0663
3JM6K2RKX8
2,5-DICHLORO-4-(3-METHYL-5-OXO-4H-PYRAZOL-1-YL)BENZENESULPHONIC ACID
C10-H8-Cl2-N2-O4-S
SMR001557163
3-Methyl-1,2,5-dichloro-4-sulfophenylpyrazole-5-one
MFCD00035706
FT-0605489
2,5-dichlor-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzensulfonsyre

MDL Number

MFCD00035706

FAQ

What regulatory guidelines apply to 2,5-Dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 84-57-1)?

Regulatory guidelines for 2,5-Dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 84-57-1) include GHS classification, REACH regulations, and FDA/EPA requirements. GHS classifies it as a toxic substance, REACH regulations cover its registration and evaluation, and FDA/EPA provide guidelines for its use and disposal in various industries such as pharmaceuticals and agriculture.

Are there alternatives to 2,5-Dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid in synthesis?

There are alternative reagents that can be used in synthesis instead of 2,5-Dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 84-57-1). Common alternatives include 2,4-Dichloro-5-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid and other similar sulfonic acids. These alternatives offer similar functionalities but may have different reactivity and solubility properties.

What is the market or research trend for 2,5-Dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 84-57-1)?

The market for 2,5-Dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 84-57-1) is driven by its use in pharmaceuticals and agriculture. Research trends focus on its applications in controlled-release formulations and as an herbicide. Price trends indicate a steady demand, but fluctuations may occur due to supply chain disruptions and regulatory changes.

How should waste containing 2,5-Dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 84-57-1) be handled?

Waste containing 2,5-Dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 84-57-1) should be collected in appropriate containers and disposed of through incineration or professional waste disposal services. Environmental precautions include ensuring no contamination of water sources and adhering to local and international waste management regulations. Safe handling practices are essential to prevent exposure and environmental damage.