4-(Methylthio)benzaldehyde

Basic Information

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CAS Number

3446-89-7

Molecular Formula

C8H8OS

Molecular Weight

152.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

6 °C

Boiling Point

153°C/17mmHg

Water Solubility

Not miscible in water.

Refractive Index

n20/D 1.646(lit.)

SMILES

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CSC1=CC=C(C=C1)C=O

InChI

InChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3

InChIKey

QRVYABWJVXXOTN-UHFFFAOYSA-N

LogP

2.221

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

106

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

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

Sensitiveness

Stench

Synonyms & References

English

4-methanethiobenzaldehyde
3446-89-7
4-(Methylsulfanyl)benzaldehyde #
SMR001261424
HMS3039L09
J-019619
F2190-0579
p-Methylmercapto Benzaldehyde
MLS002174249
4-Aldehyde thioanisole
p-Methylmercaptobenzaldehyde
Q27252879
p-(Methylthio)benzaldehyde
PS-3197
4-METHANESULFANYLBENZALDEHYDE
NCGC00090956-01
BENZALDEHYDE, P-(METHYLTHIO)-
CS-W016298
4-(Methylsulfanyl)benzaldehyde
AC-10936
4-methylsulfanyl-benzaldehyde
DTXCID8013047
4-(Methylmercapto)benzaldehyde
Benzaldehyde, 4-(methylthio)-
CAS-3446-89-7
p-methylsulfanylbenzaldehyde
STR03117
1TVQ11BIY8
Z104478194
4-Formylthioanisole
NCGC00090956-02

MDL Number

MFCD00006948

Customs Code

29309070

FAQ

What are the physical and chemical properties of 4-(Methylthio)benzaldehyde (CAS: 3446-89-7)?

4-(Methylthio)benzaldehyde (CAS: 3446-89-7) is a white or light yellow crystalline solid with a molecular weight of approximately 150.21 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly towards nucleophilic substitution at the sulfur atom. It can also undergo condensation reactions and is an important intermediate in organic synthesis.

How is 4-(Methylthio)benzaldehyde (CAS: 3446-89-7) typically synthesized?

4-(Methylthio)benzaldehyde is commonly synthesized via the reaction of methyl mercaptan with benzaldehyde. The reaction typically proceeds via a nucleophilic substitution at the benzaldehyde aldehyde group. Other methods include the reduction of 4-methylthioacetophenone with sodium borohydride. The yield is usually around 80-85%, and the method involves the use of a milder catalyst for better selectivity.

What industries use 4-(Methylthio)benzaldehyde (CAS: 3446-89-7)?

4-(Methylthio)benzaldehyde (CAS: 3446-89-7) finds application in various industries. It is used in pharmaceuticals for the synthesis of certain drugs. In the polymer industry, it serves as a building block for the production of functional polymers. It is also used in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-(Methylthio)benzaldehyde (CAS: 3446-89-7)?

When handling 4-(Methylthio)benzaldehyde (CAS: 3446-89-7), it is essential to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or under a fume hood to prevent inhalation. In case of a spill, it should be cleaned up using appropriate absorbents and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.