2-(4-Aminophenyl)-N-methylethanesulfonamide

Basic Information

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CAS Number

98623-16-6

Molecular Formula

C9H14N2O2S

Molecular Weight

214.29 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

Boiling Point

398.8°C at 760 mmHg

SMILES

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CNS(=O)(=O)CCC1=CC=C(C=C1)N

InChI

InChI=1S/C9H14N2O2S/c1-11-14(12,13)7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7,10H2,1H3

InChIKey

SDXLSPCIRDEJKT-UHFFFAOYSA-N

LogP

0.36049999999999993

Topological Polar Surface Area

72.19 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

251

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

98623-16-6
SB79346
SDXLSPCIRDEJKT-UHFFFAOYSA-N
2-(4-Aminophenyl)-ethanesulfonic acid methylamide
FT-0648802
2-(4-aminophenyl)-N-methyl-ethanesulfonamide
DTXSID60541747
2-(4-aminophenyl)ethane sulfonic acid methylamide
2-(4-aminophenyl)-N-methylethanesulfonamide
2-(4-amino-phenyl)-ethanesulfonic acid methylamide
2-(4-aminophenyl)-N-methylethane-1-sulfonamide
MFCD11617304
SCHEMBL1275321
AKOS015920300
4-Amino-N-methylbenzeneethanesulfonamide
Benzeneethanesulfonamide, 4-amino-N-methyl-
GS-3758
J-514451
2-(4-Aminophenyl)-N-methylethanesulfonamide
2-(4-amino-phenyl)ethanesulfonic acid methylamide
2-(4-aminophenyl)ethanesulphonic acid methylamide
4-Amino-N-methylbenzeneethanesulphonamide
N-methyl-2-(4-aminophenyl)ethanesulphonamide
N-methyl-4-aminophenylethanesulfonamide
4-AMINO-N-METHYLBENZENETHANASULFONAMIDE
ST2409322
AX8159688
AB0027939
W9852
623A166
2-(4-aminophenyl)et

MDL Number

MFCD11617304

Customs Code

2935009090

FAQ

What are the physical and chemical properties of 2-(4-Aminophenyl)-N-methylethanesulfonamide (CAS: 98623-16-6)?

2-(4-Aminophenyl)-N-methylethanesulfonamide (CAS: 98623-16-6) is a white crystalline solid with a molecular weight of approximately 217.26 g/mol. It has a pKa of about 8.0 and is poorly soluble in water but soluble in organic solvents like ethanol and acetone. It is relatively stable but can undergo hydrolysis in basic conditions. This compound exhibits good reactivity in substitution reactions, particularly with nucleophiles.

How is 2-(4-Aminophenyl)-N-methylethanesulfonamide (CAS: 98623-16-6) typically synthesized?

2-(4-Aminophenyl)-N-methylethanesulfonamide (CAS: 98623-16-6) can be synthesized via a multistep process involving the reaction of 4-aminophenol with methanesulfonyl chloride in the presence of a base like sodium hydroxide. The key steps include the formation of the methanesulfonate ester followed by the reduction of the nitro group to an amine. The yield is typically around 70-80%, and the method requires appropriate handling of reagents and solvents.

What industries use 2-(4-Aminophenyl)-N-methylethanesulfonamide (CAS: 98623-16-6)?

2-(4-Aminophenyl)-N-methylethanesulfonamide (CAS: 98623-16-6) finds applications in the pharmaceutical industry, particularly in the synthesis of intermediates for drugs. It is also used in polymer chemistry for modifying the properties of polymers and in the development of new materials. Additionally, it is employed in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-(4-Aminophenyl)-N-methylethanesulfonamide (CAS: 98623-16-6)?

When handling 2-(4-Aminophenyl)-N-methylethanesulfonamide (CAS: 98623-16-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of dust or vapors. Spills should be managed by using appropriate absorbent materials and disposing of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.