1-(Phenylsulfonyl)-1H-pyrrole

Basic Information

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CAS Number

16851-82-4

Molecular Formula

C10H9NO2S

Molecular Weight

207.25 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

Basic Physical Properties

Melting Point

87.0 to 91.0 deg-C

Boiling Point

368.9 °C at 760 mmHg

Flash Point

176.9 °C

Refractive Index

1.5250 (estimate)

SMILES

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

InChI

InChI=1S/C10H9NO2S/c12-14(13,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-9H

InChIKey

PPPXRIUHKCOOMU-UHFFFAOYSA-N

LogP

1.7251

Topological Polar Surface Area

39.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

269

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

Synonyms & References

English

P2095
1-(Phenylsulfonyl)pyrrole
DTXSID20168575
AKOS000522133
CCG-236339
SB62012
BP-10152
BDBM50266635
1benzenesulfonylpyrrole
1-benzensulfonyl-1H-pyrrole
BCP16980
CS-W015264
CHEMBL449256
MFCD00067739
UNII-VR7W226HWC
N-BENZENESULFONYLPYRROLE
1-(Phenylsulfonyl)pyrrole, 98%
1H-Pyrrole, 1-(phenylsulphonyl)-
EC 623-685-3
1-(Phenylsulfonyl)-1H-pyrrole #
W-205974
NS00009681
phenylsulfonyl-1H-pyrrole
NSC-102019
1-Benzenesulfonyl-1H-pyrrole
N-Benzenesulphonylpyrrole
SCHEMBL752816
EN300-103376
IDI1_011792
Maybridge3_000405
AMY916

MDL Number

MFCD00067739

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1-(Phenylsulfonyl)-1H-pyrrole (CAS: 16851-82-4)?

1-(Phenylsulfonyl)-1H-pyrrole (CAS: 16851-82-4) must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in Europe, and FDA/EPA guidelines. Manufacturers and distributors are responsible for ensuring proper labeling, storage, and handling to prevent accidental exposure and ensure environmental safety.

Are there alternatives to 1-(Phenylsulfonyl)-1H-pyrrole (CAS: 16851-82-4) in synthesis?

Several alternatives can be used in place of 1-(Phenylsulfonyl)-1H-pyrrole (CAS: 16851-82-4) depending on the specific application. Common alternatives include 1-(Benzenesulfonyl)-1H-pyrrole and other phenylsulfonyl-substituted pyrroles, which can serve similar functional groups in synthetic pathways.

What is the market or research trend for 1-(Phenylsulfonyl)-1H-pyrrole (CAS: 16851-82-4)?

Research trends for 1-(Phenylsulfonyl)-1H-pyrrole (CAS: 16851-82-4) indicate increasing interest in its use as a key intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Market trends show a gradual increase in demand due to its versatility and reactivity, with ongoing studies exploring its environmental impact and biodegradability.

How should waste containing 1-(Phenylsulfonyl)-1H-pyrrole (CAS: 16851-82-4) be handled?

Waste containing 1-(Phenylsulfonyl)-1H-pyrrole (CAS: 16851-82-4) should be collected in a sealed container and disposed of through a professional hazardous waste disposal service. Proper precautions include neutralizing any acidic residues and ensuring the waste is stored under controlled conditions to prevent environmental contamination. Compliance with local waste management regulations is essential to ensure safe disposal.