[4-Chloro-2-(trifluoromethyl)phenyl]boronic acid

Basic Information

View in Editor

CAS Number

313545-41-4

Molecular Formula

C7H5BClF3O2

Molecular Weight

224.37 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

70-72

Boiling Point

287.6℃ at 760 mmHg

Density

1.49

Flash Point

127.7℃

SMILES

View in Editor

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

InChI

InChI=1S/C7H5BClF3O2/c9-4-1-2-6(8(13)14)5(3-4)7(10,11)12/h1-3,13-14H

InChIKey

YAPBOBGBYQQYHX-UHFFFAOYSA-N

LogP

1.0385999999999997

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

200

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-chloro-2-(trifluoromethyl)-phenyl boronic acid
4-Chloro-2-(trifluoromethyl)phenylboronicacid
C2601
AC-23658
AB21257
Boronic acid, [4-chloro-2-(trifluoromethyl)phenyl]-
[4-chloro-2-(trifluoromethyl)phenyl]boronic Acid
AC-1438
(4-chloro-2-(trifluoromethyl)phenyl)boronic acid
FT-0644403
4-Chloro-2-(trifluoromethyl)benzeneboronic acid
AKOS004113745
AM803681
4-Chloro-2-trifluoromethylphenylboronic acid, AldrichCPR
4-chloro-2-trifluoromethylbenzene boronic acid
CS-W013060
4-Chloro-2-trifluoromethylphenylboronic acid
A16044
313545-41-4
DTXSID40376837
SCHEMBL2313879
NCGC00249540-01
PS-9618
4-Chloro-2-(trifluoromethyl)phenylboronic acid
EN300-1262815
4-chloro-2-trifluoromethyl phenyl boronic acid
MFCD04973086
4-chloro-2-trilfuoromethylphenylboronic acid
SY015335
4-Chloro-2-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)
2-Chloro-4-(trifluoromethyl)phenylboronic acid

MDL Number

MFCD04973086

Customs Code

2931900090

FAQ

What regulatory guidelines apply to [4-Chloro-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-41-4)?

The [4-Chloro-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-41-4) is subject to the GHS classification for hazardous chemicals, which includes requirements for labeling and safety data sheets. It falls under the scope of REACH regulations in the European Union, requiring manufacturers to register substances above a certain tonnage. In the United States, it is regulated by the FDA for pharmaceutical use and by the EPA for environmental protection. Proper storage and handling procedures must be followed to comply with all relevant regulations.

Are there alternatives to [4-Chloro-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-41-4) in synthesis?

Alternatives to [4-Chloro-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-41-4) in synthesis include other boronic acids with different substituents, such as [4-Bromo-2-(trifluoromethyl)phenyl]boronic acid or [4-Iodo-2-(trifluoromethyl)phenyl]boronic acid, which can serve similar functional roles in organic synthesis. These alternatives can be chosen based on specific reaction conditions and desired product purity.

What is the market or research trend for [4-Chloro-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-41-4)?

The market for [4-Chloro-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-41-4) is driven by its applications in pharmaceuticals and materials science. Research trends indicate increasing interest in its use as an intermediate in the synthesis of complex organic molecules and in the development of new materials. Market demand is expected to grow due to its versatility in various chemical transformations and its importance in emerging fields such as medicinal chemistry and nanotechnology.

How should waste containing [4-Chloro-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-41-4) be handled?

Waste containing [4-Chloro-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-41-4) should be collected separately and disposed of according to local regulations. It may need to be neutralized or incinerated before disposal to minimize environmental impact. Proper waste disposal should follow the guidelines of hazardous waste management, including the use of appropriate containment and handling equipment. Professional waste disposal services should be utilized to ensure compliance with regulatory requirements and safety.