(2,3-Difluorophenyl)boronic acid

Basic Information

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CAS Number

121219-16-7

Molecular Formula

C6H5BF2O2

Molecular Weight

157.91 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

95 °C (dec.)

Boiling Point

274.8°C at 760 mmHg

Density

1.3500

Flash Point

120℃

Refractive Index

1.485

SMILES

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

InChI

InChI=1S/C6H5BF2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H

InChIKey

SZYXKFKWFYUOGZ-UHFFFAOYSA-N

LogP

-0.35540000000000027

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

134

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

2,3-difluoro benzeneboronic acid
2,3-difluorobenzene boronic acid
Boronic acid, (2,3-difluorophenyl)-
2,3-difluoro-phenylboronic acid
121219-16-7
2,3 difluorophenyl boronic acid
2,3-difluoro phenyl boronic acid
2,3-Difluorophenylboronicacid
SY005373
AKOS000285065
MFCD01863170
DS-0815
Z756095562
(2,3-difluorophenyl)-boronic acid
SCHEMBL4384
difluorophenylboronic acid
D3523
FT-0601804
(2,3-Difluorophenyl)Boranediol
2,3-Difluorophenylboronic acid
2,3-Difluorobenzeneboronic Acid
EN300-117465
2,3-difluorophenyl boronic acid
CS-W020412
SZYXKFKWFYUOGZ-UHFFFAOYSA-N
AC-26573
J-500554
2,3-difluoro phenylboronic acid
(2,3-difluorophenyl)boronic Acid
AM20060166
DTXSID90370224

MDL Number

MFCD01863170

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (2,3-Difluorophenyl)boronic acid (CAS: 121219-16-7)?

(2,3-Difluorophenyl)boronic acid (CAS: 121219-16-7) is a white crystalline powder with a molecular weight of approximately 183.07 g/mol. It has a solubility of about 1.8 g/L in water and is slightly soluble in common organic solvents. It is moderately reactive, particularly in boronate ester formation and other organoboron reactions. It is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight.

How is (2,3-Difluorophenyl)boronic acid (CAS: 121219-16-7) typically synthesized?

(2,3-Difluorophenyl)boronic acid is commonly synthesized via the reduction of 2,3-difluorophenylboronic ester using a reducing agent like lithium aluminum hydride (LAH) in an inert solvent such as tetrahydrofuran (THF). The yield is typically around 80-90%, and the reaction is carried out under anhydrous conditions to ensure high purity.

What industries use (2,3-Difluorophenyl)boronic acid (CAS: 121219-16-7)?

(2,3-Difluorophenyl)boronic acid (CAS: 121219-16-7) is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules and in polymer chemistry for the development of functional materials. It also finds applications in sensor technology and semiconductor manufacturing due to its reactivity in boronate ester formation.

What precautions should be taken when handling (2,3-Difluorophenyl)boronic acid (CAS: 121219-16-7)?

When handling (2,3-Difluorophenyl)boronic acid (CAS: 121219-16-7), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat to protect against skin and eye contact. Store it in a fume hood to minimize inhalation risk. Refer to the Material Safety Data Sheet (MSDS) for detailed information on handling, storage, and emergency procedures. Ensure proper ventilation and avoid contact with water and moisture.