4-[5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide | CAS No. 170570-01-1

4-[5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

Basic Information

CAS Number

170570-01-1

Molecular Formula

C17H14F3N3O2S

Molecular Weight

381.38 g/mol

AD

Basic Physical Properties

CC1=CC(=CC=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)

InChIKey

MPVPOTMPKLOUHZ-UHFFFAOYSA-N

LogP

3.5139200000000015

Topological Polar Surface Area

77.98 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Synonyms & References

English

  • Celecoxib meta-isomer
  • 4-Desmethyl-3-methyl Celecoxib
  • Celecoxib Related Compound A
  • 4-[5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
  • 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
  • Celecoxib impurity A
  • Celecoxib EP IMpurity A
  • 4-bromo-3H-2-benzofuran-1-one
  • 4-[5-(3-Methylphenyl)-3-trifluoroMethyl-1H-pyrazol-1-yl]benzenesulfonaMide
  • 4-[5-(3-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide
  • Celecoxib Related Compound A (10 mg) (4-[5-(3-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide)
  • 4-(5-(m-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl) benzenesulfonamide

MDL Number

MFCD21363467

FAQ

What regulatory guidelines apply to 4-[5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide (CAS: 170570-01-1)?

The compound is subject to various regulatory guidelines, including GHS classification for hazardous substances, REACH regulations for registration, evaluation, authorization, and restriction of chemical substances in the European Union, and FDA/EPA regulations for safety, environmental impact, and use in the United States. Special attention should be given to handling, storage, and disposal to comply with these regulations.

Are there alternatives to 4-[5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide (CAS: 170570-01-1) in synthesis?

There are several alternatives to this compound in synthesis, such as isomers and analogs like 4-(5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, or using different functional groups and substituents. Common alternative reagents include various sulfonamides and pyrazoles, depending on the specific reaction conditions and desired product structure.

What is the market or research trend for 4-[5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide (CAS: 170570-01-1)?

The market for this compound is growing due to its applications in pharmaceuticals and agrochemicals. Research trends indicate increasing focus on its use as a pharmacological agent and its potential as an herbicide. Price trends show a steady increase, reflecting both demand and innovation in its synthesis and application.

How should waste containing 4-[5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide (CAS: 170570-01-1) be handled?

Waste containing this compound should be collected in appropriate containers, ensuring the safety of handlers. Proper storage and disposal should follow local regulations, often including incineration or professional waste disposal services. Environmental protection precautions, such as minimizing exposure to water and air, are crucial to prevent contamination and ensure compliance with environmental laws.

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