[2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid

Basic Information

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CAS Number

612833-41-7

Molecular Formula

C14H12BF3O3

Molecular Weight

296.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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OB(O)C1=C(OCC2=CC=CC=C2)C=CC(=C1)C(F)(F)F

InChI

InChI=1S/C14H12BF3O3/c16-14(17,18)11-6-7-13(12(8-11)15(19)20)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2

InChIKey

NWZHBEJEZSNEIF-UHFFFAOYSA-N

LogP

1.9642

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(2-(Benzyloxy)-5-(trifluoromethyl)phenyl)boronic acid
[2-phenylmethoxy-5-(trifluoromethyl)phenyl]boronic acid
2-(Benzyloxy)-5-(trifluoromethyl)phenylboronic acid
2-Benzyloxy-5-trifluoromethylphenylboronic acid
6-Benzyloxy-3-(trifluoromethyl)phenylboronic acid
Boronicacid, [2-(phenylmethoxy)-5-(trifluoromethyl)phenyl]- (9CI)
(2-(benzyloxy)-5-(trifluoromethyl)phenyl)boronic acid

MDL Number

MFCD06801696

Customs Code

2931900090

FAQ

What is [2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid (CAS: 612833-41-7)?

[2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid is a chemical compound with the CAS number 612833-41-7. It is used in organic synthesis and as a key intermediate in drug development. This compound features a benzyloxy group, a trifluoromethyl group, and a boron atom in its structure.

What are the main uses of [2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid (CAS: 612833-41-7)?

[2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in organic chemistry for its reactivity in boronate ester formation and other synthetic transformations.

Is [2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid (CAS: 612833-41-7) safe?

When handled properly, [2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid is generally considered safe. However, it is important to follow safety guidelines, such as wearing protective gloves and goggles, and storing it away from sources of heat and light. Proper ventilation is also recommended to avoid inhalation of dust.

How should [2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid (CAS: 612833-41-7) be stored?

[2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid 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 prevent moisture and air exposure. It is advisable to store it in a fume hood or a well-ventilated area to minimize inhalation risks.