4-(Methylsulfonyl)phenylacetic acid

Basic Information

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CAS Number

90536-66-6

Molecular Formula

C9H10O4S

Molecular Weight

214.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

136.0 to 140.0 deg-C

Boiling Point

324.37°C (rough estimate)

Density

1.4230 (rough estimate)

Water Solubility

slight

Flash Point

221.7ºC

Refractive Index

1.6000 (estimate)

Vapor Pressure

0.0±1.1 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey

HGGWOSYNRVOQJH-UHFFFAOYSA-N

LogP

0.7172000000000001

Topological Polar Surface Area

71.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

293

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-(Methylsulfonyl)phenylacetic acid
4-Methylsulphonylphenylacetic acid
2-(4-methylsulfonylphenyl)acetic acid
4-Methylsulfonylphenylacetic acid
Benzeneacetic acid, 4-(methylsulfonyl)-
4-(Methylsulphonyl)phenylacetic acid
Methylene blue N
2-(4-(Methylsulfonyl)phenyl)acetic acid
4-mesylphenylacetic acid
2-[4-(methylsulfonyl)phenyl]acetic acid
[4-(Methylsulfonyl)phenyl]acetic acid
4-(methanesulfonyl)phenylacetic acid
(4-methanesulfonylphenyl)acetic acid
2-(4-Methanesulfonylphenyl)Acetic Acid
4-methylsulfonyl benzeneacetic acid
C39I2W89XI
HGGWOSYNRVOQJH-UHFFFAOYSA-N
BENZENEACETIC ACID, 4-(METHYLSULFONYL
4-(Methylsulfonyl)benzeneacetic acid (ACI)
Acetic acid, [p-(methylsulfonyl)phenyl]- (7CI)
(4-Methanesulfonylphenyl)acetic acid
2-(4-(Methanesulfonyl)phenyl)acetic acid
2-[4-(Methylsulfonyl)phenyl]acetic acid
4-Mesylphenylacetic acid
2-(4-(methylsulfonyl)phenyl)acetic acid
2-(4-(Methylsulfonyl)phenyl)aceticacid
DB-057210
BENZENEACETIC ACID, 4-(METHYLSULFONYL)-
4-methylsulphonylphenylacetic acid
4-(Methylsulfonyl)benzeneacetic acid
4-(Methylsulfonyl)-phenyl acetic acid

MDL Number

MFCD00216495

Customs Code

2916399090

FAQ

What is 4-(Methylsulfonyl)phenylacetic acid (CAS: 90536-66-6)?

4-(Methylsulfonyl)phenylacetic acid (CAS: 90536-66-6) is an organic compound with the chemical formula C9H10O3S. It is a white crystalline solid at room temperature and exhibits moderate solubility in water. The compound contains a sulfonyl group attached to a phenyl ring, making it a key intermediate in various chemical syntheses.

What are the main uses of 4-(Methylsulfonyl)phenylacetic acid (CAS: 90536-66-6)?

4-(Methylsulfonyl)phenylacetic acid (CAS: 90536-66-6) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, specialty chemicals, and as a precursor for other functional compounds. Its versatility makes it valuable in the creation of bioactive molecules and agrochemicals.

Is 4-(Methylsulfonyl)phenylacetic acid (CAS: 90536-66-6) safe?

4-(Methylsulfonyl)phenylacetic acid (CAS: 90536-66-6) is generally considered safe when handled properly. However, it should be treated with caution as it may cause skin and eye irritation. Safety data sheets recommend using appropriate personal protective equipment (PPE) and ensuring good ventilation during handling to minimize exposure risks.

How should 4-(Methylsulfonyl)phenylacetic acid (CAS: 90536-66-6) be stored?

4-(Methylsulfonyl)phenylacetic acid (CAS: 90536-66-6) should be stored in a cool, dry, and well-ventilated place, away from moisture and direct sunlight. It is typically kept in a sealed container at a temperature below 25°C to maintain stability and prevent degradation over time.