1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole

Basic Information

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CAS Number

17639-64-4

Molecular Formula

C11H11NO2S

Molecular Weight

221.28 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

99-102 °C

Boiling Point

377.3°C at 760 mmHg

Flash Point

182.0±25.9 °C

Refractive Index

1.4790 (estimate)

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2

InChI

InChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3

InChIKey

OXWIEWFMRVJGNY-UHFFFAOYSA-N

LogP

2.03352

Topological Polar Surface Area

39.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

293

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MFCD00145014
1-[(4-methylphenyl)sulfonyl]-1H-pyrrole
DTXSID80348694
N-Tosylpyrrole
1-Tosyl Pyrrole
CCG-5047
BDBM50266686
CBMicro_017007
AKOS003270574
1-[(4-Methylphenyl)sulphonyl]-1H-pyrrole
doi:10.14272/OXWIEWFMRVJGNY-UHFFFAOYSA-N.1
17639-64-4
FT-0637577
InChI=1/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H
1-(p-Tolylsulfonyl)pyrrole, 97%
1-(4-methylphenyl)sulfonylpyrrole
1-(p-Tolylsulfonyl)pyrrole
BS-4298
N-(p-Toluenesulfonyl)pyrrole
1-tosyl-1-H-pyrrole
1-Tosyl-Pyrrole
1-p-toluenesulfonyl-1H-pyrrole
BIM-0016960.P001
1-tosyl-1H-pyrrole
J-011187
1-(4-methylbenzenesulfonyl)-1H-pyrrole
Cambridge id 5126265
T1386
1-Tosylpyrrole
CHEMBL508732
SCHEMBL1364805

MDL Number

MFCD00145014

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole (CAS: 17639-64-4)?

1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole (CAS: 17639-64-4) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. This includes proper labeling, documentation, and reporting of hazardous properties and environmental impacts.

Are there alternatives to 1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole (CAS: 17639-64-4) in synthesis?

Alternatives to 1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole (CAS: 17639-64-4) include various sulfonyl compounds such as benzenesulfonyl, toluenesulfonyl, or other aromatic sulfonyl groups. These can be used as functional group protecting agents or for other synthetic purposes depending on the specific application.

What is the market or research trend for 1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole (CAS: 17639-64-4)?

The research trend for 1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole (CAS: 17639-64-4) primarily focuses on its use as a protective group in organic synthesis, particularly in the pharmaceutical and polymer industries. Market trends indicate increasing demand due to its stability and reactivity in various chemical transformations.

How should waste containing 1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole (CAS: 17639-64-4) be handled?

Waste containing 1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole (CAS: 17639-64-4) should be collected in a closed container, properly labeled, and disposed of according to local regulations. Incineration is a common method, but professional waste disposal services should be used to ensure environmental safety and compliance with regulations.