[3-(Trifluoromethoxy)phenyl]boronic acid

Basic Information

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CAS Number

179113-90-7

Molecular Formula

C7H6BF3O3

Molecular Weight

205.93 g/mol

EINECS

642-464-2

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Almost white to slightly beige

Melting Point

84-89 °C

Boiling Point

266.6±50.0 °C(Predicted)

Density

1.41±0.1 g/cm3(Predicted)

Refractive Index

1.461

SMILES

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

InChI

InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H

InChIKey

UWDFWVLAHRQSKK-UHFFFAOYSA-N

LogP

0.2649999999999998

pKa

7.39±0.10(Predicted)

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

186

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

Synonyms & References

English

{3-[(trifluoromethyl)oxy]phenyl}boronic acid
3-trifluoromethoxy-phenyl boronic acid
3-trifluoromethoxy-phenylboronic acid
3-Trifluoromethoxyphenylboronic acid
NCGC00249558-01
3-trifluoromethoxylphenyl boronic acid
FT-0613901
EN300-225310
DTXSID40370274
SCHEMBL28261
3-trifluoromethoxybenzene boronic acid
Z1037570248
J-513118
T2362
AB09003
SY014636
(3-(Trifluoromethoxy)phenyl)boronic acid
3-(Trifluoromethoxy)benzeneboronic Acid
A3975
AM20060165
3-(trifluoromethyloxy)phenylboronic acid
AKOS004116215
AC-5362
BCP21459
(3-(trifluoro methoxy)phenyl)boronic acid
179113-90-7
BP-20269
3-trifluoromethoxyphenyl boronic acid
MFCD01320697
m-(trifluoromethoxy)phenylboronic acid
3-Trifluoromethoxy-benzeneboronic acid

MDL Number

MFCD01320697

EC Number

642-464-2

Customs Code

29163990

FAQ

What regulatory guidelines apply to [3-(Trifluoromethoxy)phenyl]boronic acid (CAS: 179113-90-7)?

Regulatory guidelines for [3-(Trifluoromethoxy)phenyl]boronic acid (CAS: 179113-90-7) include the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the European Union, and FDA and EPA regulations in the U.S. These guidelines cover storage, handling, and disposal, with specific requirements for hazardous properties such as flammability and reactivity.

Are there alternatives to [3-(Trifluoromethoxy)phenyl]boronic acid (CAS: 179113-90-7) in synthesis?

Yes, there are alternatives to [3-(Trifluoromethoxy)phenyl]boronic acid (CAS: 179113-90-7) in synthesis. Common alternatives include other boronic acids with different substituents, such as phenylboronic acid and 2,4-difluorophenylboronic acid. These alternatives can offer similar reactivity in certain synthetic pathways.

What is the market or research trend for [3-(Trifluoromethoxy)phenyl]boronic acid (CAS: 179113-90-7)?

The market for [3-(Trifluoromethoxy)phenyl]boronic acid (CAS: 179113-90-7) is growing due to its applications in pharmaceuticals and organic synthesis. Research trends focus on its use in asymmetric reactions and as a chiral auxiliary. Market dynamics show increasing demand, driven by advancements in medicinal chemistry and synthetic methodology.

How should waste containing [3-(Trifluoromethoxy)phenyl]boronic acid (CAS: 179113-90-7) be handled?

Waste containing [3-(Trifluoromethoxy)phenyl]boronic acid (CAS: 179113-90-7) should be handled with care to comply with regulatory standards. Collect waste in appropriate containers, ensure proper labeling, and dispose of it through a licensed waste management facility. Environmental protection measures should include minimizing spillage and proper incineration or chemical treatment to neutralize any hazardous compounds.