[3-(Trifluoromethyl)phenyl]boronic acid

Basic Information

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CAS Number

1423-26-3

Molecular Formula

C7H6BF3O2

Molecular Weight

189.93 g/mol

EINECS

604-284-2

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

White to pale yellow

Melting Point

163-166 °C

Boiling Point

268.2±50.0 °C(Predicted)

Density

1.36±0.1 g/cm3(Predicted)

Flash Point

119.8℃

Solubility

slightly sol. in Methanol

Refractive Index

1.461

SMILES

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

InChI

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

InChIKey

WOAORAPRPVIATR-UHFFFAOYSA-N

LogP

0.38519999999999976

pKa

7.55±0.10(Predicted)

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

172

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

m-(Trifluoromethyl)benzeneboronic acid
3-trifluoromethyl-phenyl-boronic acid
3-(trifluoromethyl)-phenylboronic acid
3-(Trifluoromethyl)PhenylboronicAcid
3-(Trifluoromethyl)benzeneboronic acid
AC-5361
J-511030
Phenylboronic Acid, 3
3-trifluromethylphenylboronic acid
[3-(trifluoromethyl)phenyl]boronic Acid
3-trifluoromethyl benzeneboronic acid
BCP23035
3-trifluormethyl-phenyl boronic acid
3-(trifluoromethyl-)-phenylboronic acid
Boronic acid, B-[3-(trifluoromethyl)phenyl]-
SCHEMBL4995
BDBM26124
3-Trifluoromethylphenylboronic acid
3-(trifluoromethyl)phenyl-boronic acid
MFCD00151854
AKOS000264710
AB04008
3-(Trifluoromethyl)phenylbornic acid
3- (trifluoromethyl)phenylboronic acid
3-trifluoromethylbenzene boronic acid
M-TRUFLUOROMETHYLBORONIC ACID
A15231
3-(trifluoromethyl)benzeneboronic acid/anhydride
3-(trifluoromethyl)-benzeneboronic acid
BP-10006
3-trifluoromethyphenyl boronic acid

MDL Number

MFCD00151854

EC Number

604-284-2

Customs Code

29319090

FAQ

What are the physical and chemical properties of [3-(Trifluoromethyl)phenyl]boronic acid (CAS: 1423-26-3)?

[3-(Trifluoromethyl)phenyl]boronic acid (CAS: 1423-26-3) is a white crystalline solid with a molecular weight of approximately 287.09 g/mol. It is sparingly soluble in water but easily soluble in organic solvents like methanol and ethanol. This compound exhibits good reactivity in boronate ester formation and is commonly used in organic synthesis, particularly in Suzuki coupling reactions.

How is [3-(Trifluoromethyl)phenyl]boronic acid (CAS: 1423-26-3) typically synthesized?

[3-(Trifluoromethyl)phenyl]boronic acid (CAS: 1423-26-3) is usually synthesized via a boronation reaction of 3-(trifluoromethyl)phenol with a boronate ester or a boronic acid derivative. The reaction often employs a palladium catalyst and a base such as potassium carbonate. The yield can be up to 90%, and the reaction is selective and efficient.

What industries use [3-(Trifluoromethyl)phenyl]boronic acid (CAS: 1423-26-3)?

[3-(Trifluoromethyl)phenyl]boronic acid (CAS: 1423-26-3) is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various pharmaceutical compounds and is also utilized in the development of polymer functionalization and modification processes.

What precautions should be taken when handling [3-(Trifluoromethyl)phenyl]boronic acid (CAS: 1423-26-3)?

When handling [3-(Trifluoromethyl)phenyl]boronic acid (CAS: 1423-26-3), it is essential to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. Store the compound in a cool, dry place away from direct sunlight and incompatible materials. In case of spill, clean up immediately using appropriate safety measures and consult a safety data sheet (SDS) for detailed instructions.