(2-Fluoro-5-methylphenyl)boronic acid

Basic Information

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CAS Number

166328-16-1

Molecular Formula

C7H8BFO2

Molecular Weight

153.95 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

77-82 °C

Boiling Point

291.4℃ at 760 mmHg

Density

1.203

Flash Point

130.054 °C

Refractive Index

1.585

SMILES

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

InChI

InChI=1S/C7H8BFO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3

InChIKey

ZLODKAZZRDLUKX-UHFFFAOYSA-N

LogP

-0.18608000000000002

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

132

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

(2-fluoro-5-methylphenyl)boranediol
GS-6746
2-fluoro-5-methylbenzeneboronic acid
CS-W018064
2-Fluoro-5-methylphenylboronic acid, >=95%
DTXSID40438469
2-Fluoro-5-methylbenzeneboronic acid;2-Fluoro-5-methylboronic acid
EN300-117467
SY024015
166328-16-1
CHEMBL5174157
MFCD03428512
SCHEMBL1372258
BP-12136
(2-fluoranyl-5-methyl-phenyl)boronic acid
FT-0643594
J-509460
F0915
5-Methyl-2-fluorophenylboronicacid
6-FLUORO-M-TOLYLBORONIC ACID
2-Fluoro-5-methylphenylboronic acid
(2-fluoro-5-methylphenyl)boronic acid
BORONIC ACID, (2-FLUORO-5-METHYLPHENYL)-
ZLODKAZZRDLUKX-UHFFFAOYSA-N
2-fluoro-5-methyl-phenylboronic acid
AKOS009320008
Z381540892
AB15421
Boronic acid, B-(2-fluoro-5-methylphenyl)-
A810719
AC-16599

MDL Number

MFCD03428512

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (2-Fluoro-5-methylphenyl)boronic acid (CAS: 166328-16-1)?

(2-Fluoro-5-methylphenyl)boronic acid is a white or off-white crystalline powder with a molecular weight of approximately 216.13 g/mol. It is slightly soluble in water and has good solubility in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong oxidizing agents. It is often used in organic synthesis and biotechnology applications due to its reactivity and stability.

How is (2-Fluoro-5-methylphenyl)boronic acid (CAS: 166328-16-1) typically synthesized?

(2-Fluoro-5-methylphenyl)boronic acid is commonly synthesized through the coupling of 2-fluoro-5-methylphenol with boron tribromide in the presence of a base like sodium hydroxide. This method provides good yields and selectivity. Other synthetic routes include the use of boronic esters with fluoride sources in the presence of phase transfer catalysts.

What industries use (2-Fluoro-5-methylphenyl)boronic acid (CAS: 166328-16-1)?

(2-Fluoro-5-methylphenyl)boronic acid is widely used in the pharmaceutical industry for drug synthesis, particularly in the development of anti-inflammatory and anti-cancer drugs. It also finds applications in the polymer industry for the synthesis of functional polymers, in biotechnology for DNA probes, and in the electronics industry for the production of semiconductors and sensors.

What precautions should be taken when handling (2-Fluoro-5-methylphenyl)boronic acid (CAS: 166328-16-1)?

When handling (2-Fluoro-5-methylphenyl)boronic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately with appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and disposal methods. Avoid contact with eyes and skin, and do not ingest or inhale the compound.