4-(Methylsulfonyl)benzaldehyde

Basic Information

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CAS Number

5398-77-6

Molecular Formula

C8H8O3S

Molecular Weight

184.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Solid

Melting Point

155-161 ºC

Boiling Point

378.3°C at 760 mmHg

Flash Point

242.1℃

Refractive Index

1.54

SMILES

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CS(=O)(=O)C1=CC=C(C=C1)C=O

InChI

InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3

InChIKey

PSVPUHBSBYJSMQ-UHFFFAOYSA-N

LogP

0.9026000000000001

Topological Polar Surface Area

51.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

242

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

4-methylsulphonylbenzaldehyde
4-(methylsulfonyl)benzaldehyde
AKOS005640659
SY002002
Z732216198
MFCD00216485
FT-0635655
p-methylsulfonyl-benzaldehyde
4-methylsulphonyl benzaldehyde
LT0039
PS-5995
4-methylsulfonylbenzaldehyde
AB04882
4-methylsulfonyl-benzaldehyde
NSC-3011
4-methanesulfonyl benzaldehyde
5398-77-6
NSC3011
DTXSID00277593
p-methylsulfonylbenzaldehyde
4-methanesulfonyl-benzaldehyde
AM20061181
4-(Methylsulfonyl)benzaldehyde, AldrichCPR
p-Methylsulfonyl Benzaldehyde
FT-0616804
4-(methylsulphonyl)benzaldehyde
PSVPUHBSBYJSMQ-UHFFFAOYSA-N
4-methanesulfonylbenzaldehyde
4-methylsulfonyl benzaldehyde
SCHEMBL607349
EN300-51882

MDL Number

MFCD00216485

Customs Code

2913000090

FAQ

What is 4-(Methylsulfonyl)benzaldehyde (CAS: 5398-77-6)?

4-(Methylsulfonyl)benzaldehyde (CAS: 5398-77-6) is an organic compound with the chemical formula C8H8O2S. It features a benzene ring substituted with a methylsulfonyl group at the 4-position and an aldehyde functional group. This compound is a white crystalline solid, soluble in organic solvents, and exhibits moderate polarity. It is commonly used as an intermediate in chemical synthesis due to its reactivity and structural versatility.

What are the main uses of 4-(Methylsulfonyl)benzaldehyde (CAS: 5398-77-6)?

4-(Methylsulfonyl)benzaldehyde (CAS: 5398-77-6) is primarily used in pharmaceuticals as a building block for drug development, particularly in compounds targeting inflammation and oxidative stress. It also serves in the fragrance and flavor industry as a component in synthetic aroma compounds. Additionally, it is employed in industrial applications for polymer synthesis and research in organic chemistry for creating sulfur-containing derivatives.

Is 4-(Methylsulfonyl)benzaldehyde (CAS: 5398-77-6) safe?

4-(Methylsulfonyl)benzaldehyde (CAS: 5398-77-6) is generally considered safe when handled properly, but it may pose moderate toxicity risks upon inhalation or skin contact. Safety data sheets (SDS) recommend using appropriate personal protective equipment (PPE), such as gloves and goggles, and working in a well-ventilated area. It is not classified as carcinogenic, but adherence to standard chemical safety protocols is essential to minimize exposure and health risks.

How should 4-(Methylsulfonyl)benzaldehyde (CAS: 5398-77-6) be stored?

4-(Methylsulfonyl)benzaldehyde (CAS: 5398-77-6) should be stored in a cool, dry place (ideally below 25°C), away from light and moisture. It requires a sealed container made of glass or HDPE to prevent degradation. While stable under normal conditions, it should be kept in a ventilated storage area to avoid potential fumes. Proper labeling and storage away from incompatible substances are also recommended.