4-(Methylsulfonyl)aniline

Basic Information

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CAS Number

5470-49-5

Molecular Formula

C7H9NO2S

Molecular Weight

171.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

135.0 to 139.0 deg-C

Boiling Point

384.3°C at 760 mmHg

Water Solubility

Soluble in water.

Flash Point

186.2 °C

SMILES

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

InChI

InChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

InChIKey

XJEVFFNOMKXBLU-UHFFFAOYSA-N

LogP

0.6723000000000002

Topological Polar Surface Area

60.16 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

209

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

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Light Sensitive

Synonyms & References

English

4-methanesulphonyl-phenylamine
HMS2258O15
4-(Methylsulfonyl)aniline
EN300-14448
4-Aminophenyl methyl sufhone
InChI=1/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H
4-aminophenyl methyl sulfone, AldrichCPR
NS00033181
CS-W005110
5470-49-5
Benzenamine, 4-(methylsulfonyl)-
NSC27552
4-methanesulfonylaniline
NSC-229035
AB01467
4-(methylsulfonyl)benzenamine
AI3-08088
SCHEMBL55092
DTXSID50203165
4-Methanesulfonyl-phenylamine
J-501447
4-methanesulfonyl-aniline
4-(methylsulfonyl)-phenylamine
NSC-27552
AKOS000206762
NSC 229035
FT-0635751
D70950
Z85926241
F0051-0005
SMR000017438

MDL Number

MFCD00025353

Customs Code

2921420090

FAQ

What regulatory guidelines apply to 4-(Methylsulfonyl)aniline (CAS: 5470-49-5)?

4-(Methylsulfonyl)aniline (CAS: 5470-49-5) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements in the USA. It is classified as a hazardous chemical due to its potential for skin and eye irritation. Companies must comply with labeling, storage, and handling requirements as outlined in these regulations.

Are there alternatives to 4-(Methylsulfonyl)aniline (CAS: 5470-49-5) in synthesis?

Alternative reagents to 4-(Methylsulfonyl)aniline include 4-(Ethylsulfonyl)aniline and 4-(Butylsulfonyl)aniline. These compounds can be used in similar reactions, providing flexibility in synthetic routes. However, the choice of alternative depends on the specific reaction conditions, availability, and cost.

What is the market or research trend for 4-(Methylsulfonyl)aniline (CAS: 5470-49-5)?

The market for 4-(Methylsulfonyl)aniline is growing due to its use in pharmaceuticals, dyes, and other chemical intermediates. Research trends focus on its applications in organic synthesis and as a precursor for more complex organic compounds. The demand is driven by the increasing need for high-purity chemicals in various industries.

How should waste containing 4-(Methylsulfonyl)aniline (CAS: 5470-49-5) be handled?

Waste containing 4-(Methylsulfonyl)aniline should be collected in appropriate containers and stored in a well-ventilated area. Incineration is a common method for disposal, but professional waste disposal services are recommended for safety. Environmental protection measures include proper containment and handling to prevent soil and water contamination.