[3-chloro-4-(trifluoromethyl)phenyl]boronic acid

Basic Information

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CAS Number

847756-88-1

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

206-212°C

Boiling Point

294.7℃ at 760 mmHg

SMILES

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OB(O)c1ccc(c(Cl)c1)C(F)(F)F

InChI

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

InChIKey

OCHKTAGGJMWISO-UHFFFAOYSA-N

LogP

1.0385999999999995

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

200

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Class CORROSIVE Class CORROSIVE

Synonyms & References

English

3-Chloro-4-(trifluoromethyl)phenylboronic acid
3-Chloro-4-(trifluoromethyl)benzeneboronic acid
[3-chloro-4-(trifluoromethyl)phenyl]boronic acid
3-Chloro-4-trifluoromethylphenylboronic acid
Boronic acid,B-[3-chloro-4-(trifluoromethyl)phenyl]-
Boronic acid, [3-chloro-4-(trifluoromethyl)phenyl]-
(3-chloro-4-(trifluoromethyl)phenyl)boronic acid
PubChem23707
KSC882K9H
OCHKTAGGJMWISO-UHFFFAOYSA-N
S

MDL Number

MFCD03788417

Customs Code

2931900090

FAQ

What is [3-chloro-4-(trifluoromethyl)phenyl]boronic acid (CAS: 847756-88-1)?

[3-chloro-4-(trifluoromethyl)phenyl]boronic acid (CAS: 847756-88-1) is a chemical compound with a molecular structure that includes a chloro and trifluoromethyl group attached to a phenyl ring. It is a boronic acid derivative with potential applications in the synthesis of organic compounds, particularly in the field of medicinal chemistry.

What are the main uses of [3-chloro-4-(trifluoromethyl)phenyl]boronic acid (CAS: 847756-88-1)?

[3-chloro-4-(trifluoromethyl)phenyl]boronic acid (CAS: 847756-88-1) is primarily used as a reagent in organic synthesis, especially in the Suzuki-Miyaura coupling reaction, which is crucial for the preparation of complex organic molecules in pharmaceutical and material science industries.

Is [3-chloro-4-(trifluoromethyl)phenyl]boronic acid (CAS: 847756-88-1) safe?

[3-chloro-4-(trifluoromethyl)phenyl]boronic acid (CAS: 847756-88-1) is generally considered safe when handled with proper precautions. Users should avoid inhalation and skin contact, and wear appropriate personal protective equipment such as gloves and goggles. Ensure good ventilation and store away from heat and direct sunlight.

How should [3-chloro-4-(trifluoromethyl)phenyl]boronic acid (CAS: 847756-88-1) be stored?

[3-chloro-4-(trifluoromethyl)phenyl]boronic acid (CAS: 847756-88-1) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect it from moisture and light exposure. Store in a well-ventilated area and avoid contact with incompatible materials like strong acids or oxidizing agents.