[2-Fluoro-6-(trifluoromethyl)phenyl]boronic acid

Basic Information

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CAS Number

313545-34-5

Molecular Formula

C7H5BF4O2

Molecular Weight

207.92 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

115-119 °C

Boiling Point

267.288°C at 760 mmHg

Density

1.443

Flash Point

115.452°C

Refractive Index

1.446

SMILES

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B(C1=C(C=CC=C1F)C(F)(F)F)(O)O

InChI

InChI=1S/C7H5BF4O2/c9-5-3-1-2-4(7(10,11)12)6(5)8(13)14/h1-3,13-14H

InChIKey

TXBRJTKFAYXKMV-UHFFFAOYSA-N

LogP

0.5243000000000002

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

197

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

N12025
2-Fluoro-6-(trifluoromethyl)phenylboron&
313545-34-5
2-fluoro-6-trifluoromethylphenyl boronic acid
FT-0686871
2-Fluoro-6-trifluoromethylphenylboronic acid
2-Fluoro-6-(trifluoromethyl)benzeneboronic acid
2-Fluoro-6-(trifluoromethyl)phenylboronic acid
SCHEMBL3743971
SY101405
MFCD07781239
(2-fluoro-6-(trifluoromethyl)phenyl)boronic acid
AS-17801
EN300-316342
CS-0042681
AKOS004119265
AB42641
DTXSID70584266
A875934
2-Fluoro-6-(trifluoromethyl)phenylboronicacid
[2-Fluoro-6-(trifluoromethyl)phenyl]boronic acid
Boronic acid,[2-fluoro-6-(trifluoromethyl)phenyl]- (9CI)
[2-fluoro-6-(trifluoromethyl)phenyl]boronic acid
2-Fluor-6-(trifluormethyl)-phenylborons?ure
2-Fluor-6-(trifluormethyl)-phenylboronsäure

MDL Number

MFCD07781239

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (2-Fluoro-6-(trifluoromethyl)phenyl)boronic acid (CAS: 313545-34-5)?

(2-Fluoro-6-(trifluoromethyl)phenyl)boronic acid (CAS: 313545-34-5) is a crystalline solid with a molecular weight of approximately 342.11 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is known for its high reactivity, particularly in Suzuki coupling reactions, and is often used as a boronic acid derivative in organic synthesis.

How is (2-Fluoro-6-(trifluoromethyl)phenyl)boronic acid (CAS: 313545-34-5) typically synthesized?

(2-Fluoro-6-(trifluoromethyl)phenyl)boronic acid (CAS: 313545-34-5) can be synthesized through a two-step process starting with the bromination of 2-fluoro-6-(trifluoromethyl)benzene followed by the subsequent nucleophilic substitution with sodium borohydride. Commonly, this process involves the use of sodium borohydride as a mild reducing agent, yielding a high yield and good selectivity.

What industries use (2-Fluoro-6-(trifluoromethyl)phenyl)boronic acid (CAS: 313545-34-5)?

(2-Fluoro-6-(trifluoromethyl)phenyl)boronic acid (CAS: 313545-34-5) is widely used in the pharmaceutical industry for the synthesis of drug intermediates due to its reactivity in coupling reactions. It also finds applications in the polymer industry for the modification of polymers, in sensor technology for detection of specific analytes, and in semiconductor manufacturing for material preparation.

What precautions should be taken when handling (2-Fluoro-6-(trifluoromethyl)phenyl)boronic acid (CAS: 313545-34-5)?

When handling (2-Fluoro-6-(trifluoromethyl)phenyl)boronic acid (CAS: 313545-34-5), it is essential to use appropriate personal protective equipment, including gloves, safety goggles, and a lab coat. Work must be performed in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up with care, and the material safety data sheet (MSDS) should be consulted for specific spill procedures. Ensure proper storage in a secure, cool, and dry location away from flammable materials.