[4-(Trifluoromethyl)phenyl]boronic acid

Basic Information

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CAS Number

128796-39-4

Molecular Formula

C7H6BF3O2

Molecular Weight

189.93 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

245-250 °C

Water Solubility

Soluble in DMSO, not in water

Flash Point

110.2℃

SMILES

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

InChI

InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H

InChIKey

ALMFIOZYDASRRC-UHFFFAOYSA-N

LogP

0.38519999999999976

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

164

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-(trifluoromethyl)phenyl-boronic acid
4-trifluoromethylbenzeneboronic acid
4-(triflouromethyl)benzeneboronic acid
NCGC00249480-01
4-trifluoromethyl-benzeneboronic acid
AS-2509
MFCD00151855
4-trifluoromethylphenyl-boronic acid
4-trifluoromethyl benzeneboronic acid
F9995-1327
128796-39-4
T1788
Boronic acid, [4-(trifluoromethyl)phenyl]-
4-(trifluoromethyl)-phenyl boronic acid
SY003865
EN300-85513
4-(trifluoromethyl)-phenylboronic acid
(4-Trifluoromethylphenyl)boronic acid
NS00120129
BDBM26129
HY-77738
4-trifluoromethyphenylboronic acid
4-(trifluoromethyl)phenyl boronic acid
A15187
4-trifluoromethyl-phenyl-boronic acid
4-(trifluoromethyl)benzene boronic acid
Z381541148
4-trifluoromethyl phenyl boronic acid
4-(Trifluoromethyl) phenylboronic acid
4-(Trifluoromethyl)phenylboronic acid
4-(Trifluoromethyl)benzeneboronic acid

MDL Number

MFCD00151855

Customs Code

2931900090

FAQ

What is [4-(Trifluoromethyl)phenyl]boronic acid (CAS: 128796-39-4)?

[4-(Trifluoromethyl)phenyl]boronic acid (CAS: 128796-39-4) is a boronic acid derivative with the chemical formula C8H8BF3O2. It features a phenyl ring substituted with a trifluoromethyl group at the 4-position, making it highly hydrophobic and reactive in organic synthesis. This compound is commonly used as an intermediate in the development of pharmaceuticals and materials science applications due to its functional group versatility.

What are the main uses of [4-(Trifluoromethyl)phenyl]boronic acid (CAS: 128796-39-4)?

[4-(Trifluoromethyl)phenyl]boronic acid (CAS: 128796-39-4) is primarily utilized in pharmaceutical research for synthesizing drugs targeting metabolic disorders and cancer. It also finds applications in agrochemicals, polymer science, and as a coupling agent in Suzuki reactions. Its trifluoromethyl group enhances stability and bioavailability in medicinal compounds.

Is [4-(Trifluoromethyl)phenyl]boronic acid (CAS: 128796-39-4) safe?

[4-(Trifluoromethyl)phenyl]boronic acid (CAS: 128796-39-4) is generally considered low toxicity but requires careful handling. It should be used in well-ventilated areas with protective gloves and goggles. While not classified as hazardous under standard safety guidelines, prolonged exposure may cause irritation, so adherence to OSHA and EPA protocols is recommended for safe manipulation.

How should [4-(Trifluoromethyl)phenyl]boronic acid (CAS: 128796-39-4) be stored?

[4-(Trifluoromethyl)phenyl]boronic acid (CAS: 128796-39-4) should be stored in a cool, dry place (2-8°C) in a sealed container to prevent moisture absorption. Protection from light is essential to maintain stability. Avoid exposure to air and incompatible materials, and ensure storage in a fire-resistant cabinet for safety compliance.