(5-Acetyl-2-fluorophenyl)boronic acid

Basic Information

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CAS Number

870777-29-0

Molecular Formula

C8H8BFO3

Molecular Weight

181.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

112-117 °C

Boiling Point

376.1℃ at760mmHg

Density

1.28

Flash Point

181.3℃

Refractive Index

1.551

SMILES

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

InChI

InChI=1S/C8H8BFO3/c1-5(11)6-2-3-8(10)7(4-6)9(12)13/h2-4,12-13H,1H3

InChIKey

FQVNUEBNRAIKBR-UHFFFAOYSA-N

LogP

-0.2919

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

198

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

J-501533
FT-0654473
5-Acetyl-2-fluorophenylboronic acid
AMY13292
SCHEMBL841590
2-Fluoro-5-acetylphenylboronic acid
5-Acetyl-2-FluorophenylboronicAcid
870777-29-0
AB25478
2-fluoro 5-acetylphenyl boronic acid
FQVNUEBNRAIKBR-UHFFFAOYSA-N
(5-acetyl-2-fluorophenyl)boronic acid
CS-0060844
AS-17774
(5-acetyl-2-fluorophenyl)boronicacid
DTXSID70376840
EN300-181080
MFCD06656263
SY032243
AKOS015841048
(5-Acetyl-2-fluorophenyl)boronic Acid
5-ACETYL-2-FLUOROBENZENEBORONIC ACID
5-acetyl-2-fluorophenylboronic acid

MDL Number

MFCD06656263

Customs Code

29310095

FAQ

What are the physical and chemical properties of (5-Acetyl-2-fluorophenyl)boronic acid (CAS: 870777-29-0)?

(5-Acetyl-2-fluorophenyl)boronic acid (CAS: 870777-29-0) is a crystalline solid with a molecular weight of approximately 222.08 g/mol. It has a melting point of 118-120°C and is slightly soluble in water. This compound is known for its reactivity, particularly in esterification and ester exchange reactions. It is also used in various organic synthesis applications due to its electrophilic nature.

How is (5-Acetyl-2-fluorophenyl)boronic acid (CAS: 870777-29-0) typically synthesized?

(5-Acetyl-2-fluorophenyl)boronic acid (CAS: 870777-29-0) can be synthesized via a multistep process involving the protection of a phenol with acetyl chloride, followed by a boronic acid formation step using a boronate ester. Common catalysts include palladium(II) acetate, and the reaction typically yields 80-90% purity. This compound is often used in intermediate steps for drug synthesis and other organic transformations.

What industries use (5-Acetyl-2-fluorophenyl)boronic acid (CAS: 870777-29-0)?

(5-Acetyl-2-fluorophenyl)boronic acid (CAS: 870777-29-0) is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of drug molecules and certain polymers. Its use in sensor technology and semiconductor fabrication is also growing, due to its specific reactivity and functionality.

What precautions should be taken when handling (5-Acetyl-2-fluorophenyl)boronic acid (CAS: 870777-29-0)?

When handling (5-Acetyl-2-fluorophenyl)boronic acid (CAS: 870777-29-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a fume hood to minimize inhalation risk. Spills should be handled with care using appropriate absorbent materials, and the area should be ventilated. Always consult the Safety Data Sheet (SDS) for specific handling and emergency procedures.