[4-Ethoxy-3-(trifluoromethyl)phenyl]boronic acid

Basic Information

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CAS Number

871329-83-8

Molecular Formula

C9H10BF3O3

Molecular Weight

233.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

200-205°C

SMILES

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CCOC1=C(C=C(C=C1)B(O)O)C(F)(F)F

InChI

InChI=1S/C9H10BF3O3/c1-2-16-8-4-3-6(10(14)15)5-7(8)9(11,12)13/h3-5,14-15H,2H2,1H3

InChIKey

SHCPXHBLEGXHIV-UHFFFAOYSA-N

LogP

0.7838999999999998

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

223

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-Ethoxy-3-(trifluoromethyl)phenylboronic acid
(4-Ethoxy-3-Trifluoromethylphenyl)Boronic Acid
4-Ethoxy-3-(trifluoromethyl)benzeneboronic acid
[4-ethoxy-3-(trifluoromethyl)phenyl]boronic acid
4-Ethoxy-3-trifluoromethylphenylboronic acid
Boronic acid,B-[4-ethoxy-3-(trifluoromethyl)phenyl]-
3-Borono-6-ethoxybenzotrifluoride
3-trifluoromethyl-4-ethoxyphenylboronic acid
4-Ethoxy-3-(trifluoromethyl)benzeneboronic Acid (contains varying amounts of Anhydride)
(4-ethoxy-3-(trifluoromethyl)phenyl)boronic acid
SHCPXHBLEGXHIV-UHFFFAOYSA-N
SBB071261
PC1773
(4-ethoxy-3-trifluoromethylphenyl)boronic acid

MDL Number

MFCD07363789

FAQ

What is [4-Ethoxy-3-(trifluoromethyl)phenyl]boronic acid (CAS: 871329-83-8)?

[4-Ethoxy-3-(trifluoromethyl)phenyl]boronic acid (CAS: 871329-83-8) is an organoboron compound with the molecular formula C9H9BF3O2. It is characterized by its hydrophobic and lipophilic properties, making it suitable for various applications in organic synthesis and medicinal chemistry.

What are the main uses of [4-Ethoxy-3-(trifluoromethyl)phenyl]boronic acid (CAS: 871329-83-8)?

[4-Ethoxy-3-(trifluoromethyl)phenyl]boronic acid (CAS: 871329-83-8) is primarily used as a boronate ester in organic synthesis, particularly in Suzuki coupling reactions. It is also used in the pharmaceutical industry for the synthesis of drug intermediates and in research for developing new chemical compounds.

Is [4-Ethoxy-3-(trifluoromethyl)phenyl]boronic acid (CAS: 871329-83-8) safe?

[4-Ethoxy-3-(trifluoromethyl)phenyl]boronic acid (CAS: 871329-83-8) is generally considered safe when handled with appropriate precautions. However, it should be stored and used in well-ventilated areas to avoid inhalation of dust. Direct contact with the skin or eyes should be avoided, and appropriate protective measures, such as gloves and goggles, should be used.

How should [4-Ethoxy-3-(trifluoromethyl)phenyl]boronic acid (CAS: 871329-83-8) be stored?

[4-Ethoxy-3-(trifluoromethyl)phenyl]boronic acid (CAS: 871329-83-8) should be stored in a tightly sealed container at room temperature (15-25°C) and protected from direct sunlight and moisture. It is important to keep it away from heat and flammable materials to prevent any potential hazards.