3-(1-Methyl-1H-pyrazol-5-yl)benzenesulfonyl chloride

Basic Information

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CAS Number

941716-85-4

Molecular Formula

C10H9ClN2O2S

Molecular Weight

256.71 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

Boiling Point

421.2°C at 760 mmHg

Density

1.41

Flash Point

208.5°C

Refractive Index

1.634

SMILES

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CN1C(=CC=N1)C2=CC(=CC=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H9ClN2O2S/c1-13-10(5-6-12-13)8-3-2-4-9(7-8)16(11,14)15/h2-7H,1H3

InChIKey

XVYMMAKBNVXHKR-UHFFFAOYSA-N

LogP

2.0145999999999997

Topological Polar Surface Area

51.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

341

Safety Information

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Hazard Statement

Synonyms & References

English

DTXSID40640328
SCHEMBL9953745
Benzenesulfonylchloride,3-(1-methyl-1H-pyrazol-5-yl)-
3-(1-Methyl-1H-pyrazol-5-yl)benzenesulfonyl chloride
941716-85-4
3-(2-methylpyrazol-3-yl)benzenesulfonyl chloride
3-(1-Methyl-1H-pyrazol-5-yl)benzene-1-sulfonyl chloride
FT-0769867
3-(2-Methyl-2H-pyrazol-3-yl)-benzenesulfonyl chloride
AKOS016011139
3-(1-Methyl-1H-pyrazol-5-yl)benzenesulphonylchloride
3-(1-Methyl-1H-pyrazol-5-yl)benzene-1-sulfonylchloride
3-(1-Methyl-1H-pyrazol-5-yl)benzenesulphonyl chloride
MFCD09817501
Benzenesulfonylchloride, 3-(1-methyl-1H-pyrazol-5-yl)-

MDL Number

MFCD09817501

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 3-(1-Methyl-1H-pyrazol-5-yl)benzenesulfonyl chloride (CAS: 941716-85-4)?

3-(1-Methyl-1H-pyrazol-5-yl)benzenesulfonyl chloride is a crystalline compound with a molecular weight of approximately 300.32 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and dichloromethane. This compound is known for its high reactivity, particularly in nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place to prevent degradation.

How is 3-(1-Methyl-1H-pyrazol-5-yl)benzenesulfonyl chloride (CAS: 941716-85-4) typically synthesized?

3-(1-Methyl-1H-pyrazol-5-yl)benzenesulfonyl chloride is typically synthesized via a two-step process. First, 5-chloropyrazole is reacted with benzene sulfonyl chloride to form the intermediate, followed by treatment with a base to form the final product. This synthesis usually requires the use of a catalyst and operates at room temperature with good yield and selectivity.

What industries use 3-(1-Methyl-1H-pyrazol-5-yl)benzenesulfonyl chloride (CAS: 941716-85-4)?

3-(1-Methyl-1H-pyrazol-5-yl)benzenesulfonyl chloride is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also utilized in the polymer industry for the modification of polymers and in the electronics industry for semiconductor applications. Additionally, it finds use in the development of sensors due to its unique chemical properties.

What precautions should be taken when handling 3-(1-Methyl-1H-pyrazol-5-yl)benzenesulfonyl chloride (CAS: 941716-85-4)?

When handling 3-(1-Methyl-1H-pyrazol-5-yl)benzenesulfonyl chloride, it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the compound is handled in a well-ventilated area or fume hood. Spills should be immediately neutralized with a suitable acid-base neutralizer and cleaned up with absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.