[3-Methoxy-5-(trifluoromethyl)phenyl]boronic acid

Basic Information

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CAS Number

871332-97-7

Molecular Formula

C8H8BF3O3

Molecular Weight

219.95 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

159-162

Boiling Point

318.3℃ at 760 mmHg

Density

1.36

Water Solubility

Sparingly soluble in water 0.42 g/L @ 25°C.

Flash Point

146.3°C

Refractive Index

1.464

SMILES

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COc1cc(cc(c1)C(F)(F)F)B(O)O

InChI

InChI=1S/C8H8BF3O3/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3

InChIKey

GKEMDZIGTOAZRK-UHFFFAOYSA-N

LogP

0.3938

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

210

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

3-Methoxy-5-(trifluoromethyl)phenylboronic acid
3-Methoxy-5-(trifluoromethyl)benzeneboronic acid
3-Methoxy-5-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)
[3-methoxy-5-(trifluoromethyl)phenyl]boronic acid
3-Methoxy-5-trifluoromethylphenylboronic acid
Boronic acid,B-[3-methoxy-5-(trifluoromethyl)phenyl]-
Methyl chloroacetate
3-Methoxy-5-(trifluoromethyl)benzeneboronic Acid (contains varying amounts of Anhydride)
(3-methoxy-5-(trifluoromethyl)phenyl)boronic acid
Boronic acid, [3-methoxy-5-(trifluoromethyl)phenyl]-
3-Methoxy-5-(trifluoromethyl)benzeneboronicacid
3-Methoxy-5-( trifluoromethyl)benzeneboronic acid
5-METHOXY-3-TRIFLUOR
5-METHO

MDL Number

MFCD08056362

Customs Code

2931900090

FAQ

What are the physical and chemical properties of [3-Methoxy-5-(trifluoromethyl)phenyl]boronic acid (CAS: 871332-97-7)?

[3-Methoxy-5-(trifluoromethyl)phenyl]boronic acid (CAS: 871332-97-7) is a white crystalline solid with a molecular weight of approximately 303.13 g/mol. It has a low solubility in water but is more soluble in organic solvents. It is a reactive compound, especially in the presence of bases or reducing agents. This compound exhibits good stability under normal storage conditions but should be handled with care due to its reactivity.

How is [3-Methoxy-5-(trifluoromethyl)phenyl]boronic acid (CAS: 871332-97-7) typically synthesized?

[3-Methoxy-5-(trifluoromethyl)phenyl]boronic acid (CAS: 871332-97-7) is usually synthesized via the Suzuki coupling reaction. This involves the reaction of 3-methoxy-5-(trifluoromethyl)phenyllithium with boronic acid in the presence of a palladium catalyst and a base. The reaction is typically carried out in an organic solvent at room temperature, with high selectivity and yield.

What industries use [3-Methoxy-5-(trifluoromethyl)phenyl]boronic acid (CAS: 871332-97-7)?

[3-Methoxy-5-(trifluoromethyl)phenyl]boronic acid (CAS: 871332-97-7) finds applications in various industries, including pharmaceuticals for organic synthesis, polymers for functional materials, and sensors for detecting specific chemicals. It is also used in the semiconductor industry for etching and patterning processes.

What precautions should be taken when handling [3-Methoxy-5-(trifluoromethyl)phenyl]boronic acid (CAS: 871332-97-7)?

When handling [3-Methoxy-5-(trifluoromethyl)phenyl]boronic acid (CAS: 871332-97-7), it is important to use personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.