Methyl 3,3,3-trifluoro-2-oxopropanoate

Basic Information

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CAS Number

13089-11-7

Molecular Formula

C4H3F3O3

Molecular Weight

156.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

86°C

Refractive Index

n20/D 1.332(lit.)

SMILES

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COC(=O)C(=O)C(F)(F)F

InChI

InChI=1S/C4H3F3O3/c1-10-3(9)2(8)4(5,6)7/h1H3

InChIKey

XGLLQDIWQRQROJ-UHFFFAOYSA-N

LogP

0.29079999999999984

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

160

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

METHYL TRIFLUOROPYRUVATE
METHYL 3,3,3-TRIFLUOROPYRUVATE
RARECHEM AL BF 1300
TRIFLUOROPYRUVIC ACID METHYL ESTER
Methyl 3,3,3-trifluoro-2-oxopropanoate
3,3,3-Trifluoropyruvic acid methyl ester
Methyl 2-oxo-3,3,3-trifluoropropanoate
Methyltrifluoropyruvate97%
Methyl trifluoropyruvate 97%
Methyl 3,3,3-trifluoropyruvate,97%
Methyl 3,3,3-trifluoropyruvate 97%
Methyl 3,3,3-trifluoropyruvate, 98%+

MDL Number

MFCD00114936

Customs Code

2918300090

FAQ

What is Methyl 3,3,3-trifluoro-2-oxopropanoate (CAS: 13089-11-7)?

Methyl 3,3,3-trifluoro-2-oxopropanoate, also known as trifluoroacetic methyl ester, is a colorless to slightly yellow, clear, and viscous liquid with a CAS number of 13089-11-7. It is characterized by its pungent odor and is used in various applications due to its reactive properties.

What are the main uses of Methyl 3,3,3-trifluoro-2-oxopropanoate (CAS: 13089-11-7)?

Methyl 3,3,3-trifluoro-2-oxopropanoate is primarily used as a reagent in organic synthesis, particularly in the preparation of fluorinated compounds. It is also utilized in the pharmaceutical industry for drug development and in analytical chemistry for derivatization reactions.

Is Methyl 3,3,3-trifluoro-2-oxopropanoate (CAS: 13089-11-7) safe?

Methyl 3,3,3-trifluoro-2-oxopropanoate is generally considered safe when handled with appropriate precautions. However, it is corrosive and may cause skin and eye irritation. Protective measures include wearing gloves and protective eyewear. Inhalation and ingestion should be avoided, and it should be stored in a well-ventilated area away from incompatible materials.

How should Methyl 3,3,3-trifluoro-2-oxopropanoate (CAS: 13089-11-7) be stored?

Methyl 3,3,3-trifluoro-2-oxopropanoate should be stored in a cool, dry, and well-ventilated area. It should be kept away from sources of heat, sparks, and open flames. The container should be tightly closed to prevent leakage and contamination. Exposure to light should be minimized, and it should be stored in the original container or an appropriate, tightly sealed container.