4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone

Basic Information

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CAS Number

162011-90-7

Molecular Formula

C17H14O4S

Molecular Weight

314.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

207.0 to 211.0 deg-C

Boiling Point

577.6°C at 760 mmHg

Flash Point

303.1 °C

Solubility

DMSO: soluble5mg/mL, clear (warmed)

Refractive Index

1.619

SMILES

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CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3

InChI

InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChIKey

RZJQGNCSTQAWON-UHFFFAOYSA-N

LogP

2.5577000000000005

Topological Polar Surface Area

60.44 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

556

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

CHEBI:8887
KBio2_000559
DTXSID2023567
MLS001195623
Z2037279770
BDBM22369
NCGC00095118-02
3-Phenyl-4-(4-(methylsulfonyl)phenyl))-2(5H)-furanone
NCI60_041175
3-phenyl-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone
NCGC00095118-17
FT-0631192
ROFECOXIB [VANDF]
CCG-40253
EN300-7364304
rofecoxibum
2(5H)-Furanone, 4-(4-(methylsulfonyl)phenyl)-3-phenyl-
SMR000466331
MFCD00935806
SR-01000762904-3
KBio3_002825
KBio2_002345
0QTW8Z7MCR
SB19518
GTPL2893
Spectrum3_001153
Rofecoxib [USAN]
KBio3_002205
3-(Phenyl)-4-(4-(methylsulfonyl)phenyl)-2-(5H)-furanone
KBio2_004913
L000912

MDL Number

MFCD00935806

Customs Code

29309070

FAQ

What regulatory guidelines apply to 4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone (CAS: 162011-90-7)?

4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone (CAS: 162011-90-7) falls under the classification system of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It may require hazard communication labels based on its potential health and environmental hazards. Additionally, it is subject to reporting and safety data sheet (SDS) requirements under the REACH regulations in the European Union. In the United States, it must comply with FDA regulations for chemical substances and EPA regulations for handling and disposal.

Are there alternatives to 4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone in synthesis?

There are several alternatives to 4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone in synthesis, such as 4-(phenylmethyl)furan-2(5H)-one and 3-phenyl-2(5H)-furanone. These alternatives can be used as starting materials or intermediates depending on the specific synthesis requirements. Common substituents like methyl, ethyl, and propyl can also be used to create isomers or analogs.

What is the market or research trend for 4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone?

The market for 4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone (CAS: 162011-90-7) is growing due to its application in the pharmaceutical and cosmetic industries. Research trends are focusing on exploring its potential as a therapeutic agent and as a fragrance ingredient. The price trend is stable, but it may vary based on supply chain fluctuations. Emerging studies are investigating its biological activity and environmental impact.

How should waste containing 4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone be handled?

Waste containing 4-[4-(Methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone (CAS: 162011-90-7) should be collected in appropriate containers and stored separately to prevent contamination. If the waste is hazardous, it should be disposed of according to local regulations. Incineration or professional waste disposal services that comply with environmental protection standards should be used. Protective measures should be taken to ensure the safety of personnel and the environment during handling and disposal processes.