Methyl 4-[(trifluoromethyl)sulfanyl]benzoate

Basic Information

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CAS Number

88489-60-5

Molecular Formula

C9H7F3O2S

Molecular Weight

236.21 g/mol

Basic Physical Properties

SMILES

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COC(=O)C1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C9H7F3O2S/c1-14-8(13)6-2-4-7(5-3-6)15-9(10,11)12/h2-5H,1H3

InChIKey

HQJOBVILQKWFGJ-UHFFFAOYSA-N

LogP

3.0851000000000015

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

222

Synonyms & References

English

methyl 4-(trifluoromethylsulfanyl)benzoate
Methyl 4-[(trifluoromethyl)thio]benzoate
Methyl 4-(trifluoromethylthio)benzoate
MFCD06203725
CS-0205366
88489-60-5
methyl 4-[(trifluoromethyl)sulfanyl]benzoate
DTXSID30575039
FT-0642092
AKOS015853077
METHYL 4-TRIFLUOROMETHYLTHIO BENZOATE
A862165
Methyl4-[(trifluoromethyl)thio]benzoate
HQJOBVILQKWFGJ-UHFFFAOYSA-N
Methyl 4-((trifluoromethyl)thio)benzoate
Methyl 4-[(trifluoromethyl)sulphanyl]benzoate
PS-11303
Benzoic acid,4-[(trifluoromethyl)thio]-, methyl ester
METHYL 4-[(TRIFLUOROMETHYL)THIO]BENZOATE
Methyl 4-trifluomethylthiobenzoate
PC1546

MDL Number

MFCD06203725

Customs Code

2930909090

FAQ

What is Methyl 4-[(trifluoromethyl)sulfanyl]benzoate (CAS: 88489-60-5)?

Methyl 4-[(trifluoromethyl)sulfanyl]benzoate is a chemical compound with the CAS number 88489-60-5. It is an organic compound with a molecular formula of C9H8F3O2S. This compound is characterized by its strong odor and is used in various applications including pharmaceuticals and chemical synthesis.

What are the main uses of Methyl 4-[(trifluoromethyl)sulfanyl]benzoate (CAS: 88489-60-5)?

Methyl 4-[(trifluoromethyl)sulfanyl]benzoate is primarily used in pharmaceuticals as an intermediate in the synthesis of various drug compounds. It is also utilized in chemical research and as a reagent in organic synthesis due to its unique chemical properties.

Is Methyl 4-[(trifluoromethyl)sulfanyl]benzoate (CAS: 88489-60-5) safe?

Methyl 4-[(trifluoromethyl)sulfanyl]benzoate can be considered safe when handled with appropriate precautions. It is important to follow safety guidelines, wear protective equipment, and store it in a well-ventilated area to minimize exposure risks. Ingestion, inhalation, and skin contact should be avoided as they can be harmful.

How should Methyl 4-[(trifluoromethyl)sulfanyl]benzoate (CAS: 88489-60-5) be stored?

Methyl 4-[(trifluoromethyl)sulfanyl]benzoate should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent degradation. The storage temperature should be maintained between 15-25°C (59-77°F) and the container should be kept away from moisture and air to ensure stability and safety.