(6-chloro-2-fluoro-3-methoxy-phenyl)boronic acid

Basic Information

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CAS Number

867333-04-8

Molecular Formula

C7H7BClFO3

Molecular Weight

204.39 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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B(C1=C(C=CC(=C1F)OC)Cl)(O)O

InChI

InChI=1S/C7H7BClFO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3

InChIKey

CVKDGGIRBCXOSZ-UHFFFAOYSA-N

LogP

0.16749999999999998

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

172

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BB 0260482
SCHEMBL4266378
AKOS015853387
CS-0112999
FT-0655293
2-Fluoro-3-methoxy-6-chlorophenylboronic acid
A841819
(6-chloro-2-fluoro-3-methoxyphenyl)boronicacid
867333-04-8
(6-chloro-2-fluoro-3-methoxyphenyl)boronic acid
(6-Chloro-2-fluoro-3-methoxy-phenyl)boronic acid
DTXSID40659410
N12088
MFCD11617260
J-518516
6-Chloro-2-fluoro-3-methoxyphenylboronicacid
DS-17392
6-Chloro-2-fluoro-3-methoxyphenylboronic acid
(6-Chloro-2-fluoro-3-methoxyphenyl)boronic acid
6-Chloro-2-fluoro-3-Methoxyphenylboronic acid

MDL Number

MFCD11617260

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (6-chloro-2-fluoro-3-methoxy-phenyl)boronic acid (CAS: 867333-04-8)?

The compound (6-chloro-2-fluoro-3-methoxy-phenyl)boronic acid has a crystalline form with a molecular weight of approximately 255.04 g/mol. It is slightly soluble in water and organic solvents. Chemically, it is reactive in aqueous solutions and can undergo boronate ester formation. The compound is stable under normal storage conditions but requires protection from moisture and light.

How is (6-chloro-2-fluoro-3-methoxy-phenyl)boronic acid (CAS: 867333-04-8) typically synthesized?

(6-Chloro-2-fluoro-3-methoxy-phenyl)boronic acid can be synthesized using a two-step process involving the protection of the methoxy group, followed by boronation with a boronic ester. Commonly, the synthesis involves the use of a palladium catalyst and a phase transfer catalyst. The yield is typically around 70-80%, with good selectivity towards the desired product.

What industries use (6-chloro-2-fluoro-3-methoxy-phenyl)boronic acid (CAS: 867333-04-8)?

(6-Chloro-2-fluoro-3-methoxy-phenyl)boronic acid is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of drugs and polymers. Additionally, it has applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling (6-chloro-2-fluoro-3-methoxy-phenyl)boronic acid (CAS: 867333-04-8)?

When handling (6-chloro-2-fluoro-3-methoxy-phenyl)boronic acid, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area, preferably a fume hood, to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents and disposed of according to local regulations. The safety data sheet (SDS) should always be referenced for detailed handling instructions.