2-(Isopropylsulfonyl)aniline

Basic Information

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CAS Number

76697-50-2

Molecular Formula

C9H13NO2S

Molecular Weight

199.28 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

Physical State

Light-red to Brown Solid

Melting Point

83.0 to 87.0 deg-C

Boiling Point

381.1 °C at 760 mmHg

Density

1.194

Flash Point

184.3 °C

Refractive Index

1.548

SMILES

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CC(C)S(=O)(=O)C1=CC=CC=C1N

InChI

InChI=1S/C9H13NO2S/c1-7(2)13(11,12)9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3

InChIKey

GMLAMRMKROYXNZ-UHFFFAOYSA-N

LogP

1.4508999999999999

Topological Polar Surface Area

60.16 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

253

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

DTXSID70505557
76697-50-2
Z808589378
1-Amino-2-(isopropylsulphonyl)benzene
CS-M2891
2-(Isopropylsulphonyl)aniline
2-(ISOPROPYLSULFONYL)ANILINE
2-(isopropylsulfonyl) aniline
1-Amino-2-(isopropylsulfonyl)benzene
GS-4017
2-Aminophenyl isopropyl sulfone
SY028185
2-(propane-2-sulfonyl)phenylamine
SCHEMBL1015219
2-(isopropylsulfonyl)benzenamine
2-IODO-5-BROMO-THIOPHENE
J-504178
AM20080582
EN300-65799
2-propan-2-ylsulfonylaniline
A838802
2-(iso-propylsulfonyl)benzenamine
BCP12286
MFCD08445603
FT-0600371
2-(propan-2-ylsulfonyl)aniline
AC-29713
[2-[(Propan-2-yl)sulfonyl]phenyl]amine
2-(propane-2-sulfonyl)aniline
AKOS010625403
SB17678

MDL Number

MFCD08445603

FAQ

What regulatory guidelines apply to 2-(Isopropylsulfonyl)aniline (CAS: 76697-50-2)?

2-(Isopropylsulfonyl)aniline (CAS: 76697-50-2) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements for classification, handling, and disposal. It is important to ensure compliance with local and national regulations regarding its use, storage, and disposal to prevent environmental and health risks.

Are there alternatives to 2-(Isopropylsulfonyl)aniline (CAS: 76697-50-2) in synthesis?

Alternatives to 2-(Isopropylsulfonyl)aniline (CAS: 76697-50-2) in synthesis include similar anilines or alternative sulfonylating agents like benzenesulfonyl chloride or toluenesulfonyl chloride. These alternatives can provide similar functionalities but may have different reactivity and toxicity profiles, making them suitable for specific synthetic pathways.

What is the market or research trend for 2-(Isopropylsulfonyl)aniline (CAS: 76697-50-2)?

The market and research trends for 2-(Isopropylsulfonyl)aniline (CAS: 76697-50-2) are centered around its use in pharmaceuticals and dye intermediates. Recent research focuses on its potential in developing new drugs and dyes, with a growing emphasis on sustainable synthesis methods and eco-friendly alternatives. Market trends indicate increasing demand as research advances and regulatory compliance improves.

How should waste containing 2-(Isopropylsulfonyl)aniline (CAS: 76697-50-2) be handled?

Waste containing 2-(Isopropylsulfonyl)aniline (CAS: 76697-50-2) should be handled by professional waste disposal services that specialize in hazardous waste management. Proper collection, neutralization, and incineration are crucial to prevent environmental contamination. Ensure all safety measures are followed, including appropriate personal protective equipment and proper labeling of waste containers. Follow local and national regulations for hazardous waste disposal to protect public health and the environment.