5-Bromo-2,4-difluoro-3-(triethylsilyl)benzoic acid

Basic Information

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CAS Number

651027-08-6

Molecular Formula

C13H17BrF2O2Si

Molecular Weight

351.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

67-69 °C(Solv: hexane (110-54-3))

Boiling Point

345.9±42.0 °C(Predicted)

Density

1.36±0.1 g/cm3(Predicted)

SMILES

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O=C(O)C1=CC(Br)=C(F)C([Si](CC)(CC)CC)=C1F

InChI

InChI=1S/C13H17BrF2O2Si/c1-4-19(5-2,6-3)12-10(15)8(13(17)18)7-9(14)11(12)16/h7H,4-6H2,1-3H3,(H,17,18)

InChIKey

LQBBJZZTWZOWEA-UHFFFAOYSA-N

LogP

4.141000000000003

pKa

2.86±0.10(Predicted)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Synonyms & References

English

5-Bromo-2,4-difluoro-3-(triethylsilyl)
5-Bromo-2,4-difluoro-3-(triethylsilyl)benzoic acid
5-Bromo-2,4-Difluro Benzoic Acid
Benzoic acid, 5-bromo-2,4-difluoro-3-(triethylsilyl)-
5-Bromo-2,4-difluorobenzoic acid
3-Bromo-4,5-diethoxy-benzaldehyde
3-bromo-4,6-difluoro-5-(triethylsilyl)benzoic acid

MDL Number

MFCD04115714

FAQ

What is 5-Bromo-2,4-difluoro-3-(triethylsilyl)benzoic acid (CAS: 651027-08-6)?

5-Bromo-2,4-difluoro-3-(triethylsilyl)benzoic acid (CAS: 651027-08-6) is an organic compound with the molecular formula C14H22BrF2O4Si. It is characterized by its bromine, fluorine, and triethylsilyl substituents, which give it unique chemical properties useful in various applications.

What are the main uses of 5-Bromo-2,4-difluoro-3-(triethylsilyl)benzoic acid (CAS: 651027-08-6)?

5-Bromo-2,4-difluoro-3-(triethylsilyl)benzoic acid (CAS: 651027-08-6) is primarily used as a reagent in organic synthesis, particularly in the preparation of other fluorinated compounds. It is also utilized in the pharmaceutical and research industries for its specific chemical properties.

Is 5-Bromo-2,4-difluoro-3-(triethylsilyl)benzoic acid (CAS: 651027-08-6) safe?

5-Bromo-2,4-difluoro-3-(triethylsilyl)benzoic acid (CAS: 651027-08-6) is generally considered safe when handled with proper precautions. It is important to follow safety guidelines, including the use of appropriate personal protective equipment and storage in a controlled environment to avoid exposure and ensure safety.

How should 5-Bromo-2,4-difluoro-3-(triethylsilyl)benzoic acid (CAS: 651027-08-6) be stored?

5-Bromo-2,4-difluoro-3-(triethylsilyl)benzoic acid (CAS: 651027-08-6) should be stored in a cool, dry place away from heat and direct sunlight. It should be kept in a tightly sealed container to prevent moisture absorption and degradation. Storage temperature should ideally be maintained between 15°C to 25°C (59°F to 77°F) to ensure optimal stability and safety.