[3-Chloro-4-(methylsulfanyl)phenyl]acetic acid

Basic Information

View in Editor

CAS Number

87776-75-8

Molecular Formula

C9H9ClO2S

Molecular Weight

216.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

View in Editor

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

InChI

InChI=1S/C9H9ClO2S/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

InChIKey

RUUPIFBYMDGMPN-UHFFFAOYSA-N

LogP

2.689

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

187

Synonyms & References

English

SCHEMBL2162178
FT-0656653
DTXSID20476900
MFCD17976594
AMY887
2-(3-chloro-4-(methylthio)phenyl)aceticacid
[3-chloro-4-(methylsulfanyl)phenyl]acetic acid
3-Chloro-4-(methylthio)phenylaceticacid
3-Chloro-4-(methylthio)phenylacetic acid
RUUPIFBYMDGMPN-UHFFFAOYSA-N
CS-0364486
AKOS005064148
3-CHLORO-4-METHYLTHIOPHENYLACETIC ACID
87776-75-8
2-(3-chloro-4-(methylthio)phenyl)acetic acid
(3-chloro-4-methylsulfanyl-phenyl)-acetic acid
2-(3-chloro-4-methylsulfanylphenyl)acetic acid
3-Chloro-4-Methylthiophenylacetic Acid
4-IODOBENZENECARBOHYDRAZIDE
Benzeneacetic acid,3-chloro-4-(methylthio)-
(3-Chloro-4-methylsulfanylphenyl)aceticacid

MDL Number

MFCD17976594

Customs Code

2930909090

FAQ

What is [3-Chloro-4-(methylsulfanyl)phenyl]acetic acid (CAS: 87776-75-8)?

[3-Chloro-4-(methylsulfanyl)phenyl]acetic acid (CAS: 87776-75-8) is a organic acid with a molecular formula of C9H10ClNO2S. It is a colorless to white crystalline solid with a pungent odor. This compound is commonly used in the pharmaceutical and research industries as an intermediate for drug synthesis.

What are the main uses of [3-Chloro-4-(methylsulfanyl)phenyl]acetic acid (CAS: 87776-75-8)?

[3-Chloro-4-(methylsulfanyl)phenyl]acetic acid (CAS: 87776-75-8) is primarily used as a pharmaceutical intermediate. It is involved in the synthesis of various drugs, particularly those targeting cardiovascular and respiratory systems. Additionally, it is used in research for studying medicinal chemistry and drug development.

Is [3-Chloro-4-(methylsulfanyl)phenyl]acetic acid (CAS: 87776-75-8) safe?

While [3-Chloro-4-(methylsulfanyl)phenyl]acetic acid (CAS: 87776-75-8) is generally safe under normal handling conditions, it is important to follow proper safety precautions. Wear gloves, goggles, and a lab coat when handling this compound. Keep it away from heat and sources of ignition. Ensure proper ventilation and avoid prolonged exposure to the skin or eyes.

How should [3-Chloro-4-(methylsulfanyl)phenyl]acetic acid (CAS: 87776-75-8) be stored?

[3-Chloro-4-(methylsulfanyl)phenyl]acetic acid (CAS: 87776-75-8) should be stored in a cool, dry place, protected from light. It should be kept in tightly sealed containers to prevent moisture absorption. Store it away from heat, sparks, and other ignition sources. It is also recommended to store it in a well-ventilated area to reduce the risk of inhalation exposure. Avoid contact with incompatible substances such as strong oxidizers or acids.