1-(Chloromethyl)-4-(methylsulfanyl)benzene

Basic Information

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CAS Number

874-87-3

Molecular Formula

C8H9ClS

Molecular Weight

172.68 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

116°C 8mm

Density

1.170

Water Solubility

It hydrolyzes in water.

Flash Point

>230 °F

Refractive Index

1.6020

SMILES

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CSc1ccc(CCl)cc1

InChI

InChI=1S/C8H9ClS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3

InChIKey

VWVZFHRDLPHBEG-UHFFFAOYSA-N

LogP

3.1473000000000013

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

87.3

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

p-(Methylthio)benzyl chloride
4-(Methylthio)benzyl chloride
4-(Chloromethyl)thioanisole
1-(chloromethyl)-4-methylsulfanylbenzene
C8H9ClS
1-(Chloromethyl)-4-(methylthio)benzene
4-(Methylthio)BenzylChloride
4-methylthiobenzyl chloride
Benzene, 1-(chloromethyl)-4-(methylthio)-
(4-(chloromethyl)phenyl)(methyl)sulfane
PubChem10530
4-chloromethylthioanisole
1-(chloromethyl)-4-(methylsulfanyl)benzene
p-methylthiobenzyl chloride
4-methylthio-benzyl chloride
4-Methylmercaptobenzyl chlor
1-(Chloromethyl)-4-(methylthio)benzene (ACI)
Sulfide, α-chloro-p-tolyl methyl (7CI, 8CI)
(4-(Chloromethyl)phenyl)(methyl)sulfane
1-Chloromethyl-4-methylsulfanylbenzene
1-Chloromethyl-4-methylthiobenzene
4-(Methylsulfanyl)benzyl chloride

MDL Number

MFCD00270118

Customs Code

2930909090

FAQ

What is 1-(Chloromethyl)-4-(methylsulfanyl)benzene (CAS: 874-87-3)?

1-(Chloromethyl)-4-(methylsulfanyl)benzene is a chemical compound with the CAS number 874-87-3. It is a aromatic organic compound, featuring a benzene ring with a chloromethyl and methylsulfanyl substituents. This compound is typically colorless or white and has a molecular formula of C9H10ClS. It is highly polar and has a moderate boiling point.

What are the main uses of 1-(Chloromethyl)-4-(methylsulfanyl)benzene (CAS: 874-87-3)?

1-(Chloromethyl)-4-(methylsulfanyl)benzene is primarily used in the pharmaceutical industry as a precursor for the synthesis of various medicinal compounds. It is also utilized in the chemical industry for the production of other organic compounds. Additionally, it is sometimes used as a reagent in research settings for organic synthesis.

Is 1-(Chloromethyl)-4-(methylsulfanyl)benzene (CAS: 874-87-3) safe?

1-(Chloromethyl)-4-(methylsulfanyl)benzene is moderately safe when handled properly. However, it should be used with caution due to its chloromethyl group, which can react with water to form hydrochloric acid. Users should wear appropriate protective equipment such as gloves and goggles, and ensure proper ventilation. Immediate washing with water and seeking medical advice is recommended if skin contact occurs.

How should 1-(Chloromethyl)-4-(methylsulfanyl)benzene (CAS: 874-87-3) be stored?

1-(Chloromethyl)-4-(methylsulfanyl)benzene should be stored in a cool, dry place, away from direct sunlight and heat sources. It is advisable to keep the compound in a sealed, airtight container made of glass or metal. The storage area should have good ventilation to prevent the formation of chloromethyl chloride gas. Temperatures should be maintained below 25°C (77°F) to avoid degradation and ensure safety.