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

Basic Information

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CAS Number

88-76-6

Molecular Formula

C10H9ClN2O4S

Molecular Weight

288.71 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

344 ºC

Density

1.6400

Refractive Index

1.681

SMILES

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

InChI

InChI=1S/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-3,5H,4H2,1H3,(H,15,16,17)

InChIKey

UWLNKHDLVZEYKQ-UHFFFAOYSA-N

LogP

1.6993000000000003

Topological Polar Surface Area

87.04 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

485

Safety Information

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GHS Hazard Pictograms

H317

H319

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

A842890
NSC-4691
4-chlor-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzensulfonsyre
Benzenesulfonic acid, 4-chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
AKOS004912549
4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
NSC 26425
D77799
CS-W016718
1-(2-Chloro-5-sulfophenyl)-3-methyl-5(4H)-pyrazolone
W-100388
SY057744
4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1-pyrazolyl)benzenesulfonic Acid
NSC26425
UWLNKHDLVZEYKQ-UHFFFAOYSA-N
1-(2'-chloro-5'-sulfonglphengl)-3-methyl-5-pyrazolone
NSC-26425
88-76-6
AS-73254
SCHEMBL18267342
FT-0623696
4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid #
EINECS 201-858-0
4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid
DTXSID1058977
4-chloranyl-3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid
M0665
4-CHLORO-3-(3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)-BENZENESULFONIC ACID
NSC4691
4-chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid

MDL Number

MFCD00020745

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 88-76-6)?

4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 88-76-6) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements for chemical safety and environmental protection. It is classified as a hazardous chemical requiring appropriate storage, handling, and disposal practices.

Are there alternatives to 4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 88-76-6) in synthesis?

In the synthesis of 4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 88-76-6), alternative reagents such as other chlorobenzenes or sulfonic acids with similar functional groups can be used. However, it is important to consider the specific reaction conditions and the desired product properties when choosing an alternative.

What is the market or research trend for 4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 88-76-6)?

The market for 4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 88-76-6) is influenced by its applications in pharmaceuticals and other industries. Research trends focus on its use in drug development and as an intermediate in chemical synthesis, with ongoing studies exploring its potential in new applications and the development of more environmentally friendly alternatives.

How should waste containing 4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 88-76-6) be handled?

Waste containing 4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS: 88-76-6) should be collected in appropriate containers and disposed of through professional waste disposal services to ensure environmental safety. Proper incineration or other suitable methods should be employed to handle the waste, with adherence to local and international regulations for hazardous waste management.