4-(Methylsulfanyl)aniline

Basic Information

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CAS Number

104-96-1

Molecular Formula

C7H9NS

Molecular Weight

139.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

156 - 158

Boiling Point

273°C

Refractive Index

n20/D 1.639(lit.)

SMILES

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CSC1=CC=C(C=C1)N

InChI

InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

InChIKey

YKFROQCFVXOUPW-UHFFFAOYSA-N

LogP

1.9907000000000001

pKa

4.35(at 25℃)

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Stench

Synonyms & References

English

4-(Methylthio)aniline, redistilled from glass
FNT8J4PB8Y
4JM
p-(Methylthio)aniline
p-Aminophenyl methyl sulfide
4-methylsulfanylphenylamine
A801114
p-Thioanisidine
Benzenamine, 4-(methylthio)-
4-(Methylmercapto)aniline
NS00015802
J-513769
4-(Methylthio)aniline
4-(methylthio) aniline
(4-methylsulfanyl-phenyl)-amine
4-methylsulfanyl-phenylamine
4-(Methylsulfanyl)aniline
Aniline, p-(methylthio)-
Thioanisidine
p-Aminothioanisole
FT-0601038
CHEBI:167852
4-methylsulanylaniline
F2144-0013
AKOS000121048
STR05801
4-Amino thioanisole
4-Methylmercaptoaniline
4-methylsulfanylaniline
4-(Methylthio)benzenamine
p-Thiomethoxyaniline

MDL Number

MFCD00007889

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 4-(Methylsulfanyl)aniline (CAS: 104-96-1)?

4-(Methylsulfanyl)aniline is a white, crystalline solid. Its molecular weight is 148.19 g/mol. This compound is slightly soluble in water but more soluble in organic solvents like methanol and ethanol. It is a reducing agent and can react with strong oxidants. It has a pKa of 6.8 and is stable under normal storage conditions.

How is 4-(Methylsulfanyl)aniline (CAS: 104-96-1) typically synthesized?

4-(Methylsulfanyl)aniline is usually synthesized via a substitution reaction starting from aniline and methanethiol. The reaction is carried out in the presence of a base like sodium hydroxide or potassium hydroxide. The yield is typically around 85%, and the selectivity is good. Common solvents used include methanol or ethanol.

What industries use 4-(Methylsulfanyl)aniline (CAS: 104-96-1)?

4-(Methylsulfanyl)aniline is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also used in the fabrication of dyes, pigments, and as a precursor in the production of polymers. Additionally, it finds applications in the production of organic semiconductors and as a reagent in analytical chemistry.

What precautions should be taken when handling 4-(Methylsulfanyl)aniline (CAS: 104-96-1)?

Proper personal protective equipment (PPE) is essential when handling 4-(Methylsulfanyl)aniline. Wear gloves, safety goggles, and a lab coat. Ensure the use of a fume hood to avoid inhalation of vapors. Accidental spills should be cleaned up using personal protective equipment. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and first aid measures.