5-Bromo-2-fluoro-3-methylphenylboronic acid

Basic Information

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CAS Number

957120-61-5

Molecular Formula

C7H7BBrFO2

Molecular Weight

232.84 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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B(C1=CC(=CC(=C1F)C)Br)(O)O

InChI

InChI=1S/C7H7BBrFO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,11-12H,1H3

InChIKey

VLFDXHTXMHURJH-UHFFFAOYSA-N

LogP

0.57642

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

158

Synonyms & References

English

(5-Bromo-2-fluoro-3-methylphenyl)boronic acid
2-Fluoro-3-methyl-5-bromophenylboronic acid
5-Bromo-2-fluoro-3-methylphenylboronic acid
(5-bromo-2-fluoro-3-methyl-phenyl)boronic acid
5-bromo-2-fluoro-3-methylbenzeneboronic acid
VLFDXHTXMHURJH-UHFFFAOYSA-N
SBB071274
PC8046
VB10099
FCH1323689
BC001291
AX8196764
AB0043285
Z
B-(5-Bromo-2-fluoro-3-methylphenyl)boronic acid (ACI)
5-Bromo-2-fluoro-3-methylbenzeneboronic acid
J-516923
(5-Bromo-2-fluoro-3-methylphenyl)boronicacid
DTXSID90659400
DB-029079
SCHEMBL1826766
AKOS015834371
(5-bromo-2-fluoro-3-methylphenyl)boronic acid
957120-61-5
AS-66539
N12156
MFCD09800868
CS-0047542

MDL Number

MFCD09800868

Customs Code

2931900090

FAQ

What is 5-Bromo-2-fluoro-3-methylphenylboronic acid (CAS: 957120-61-5)?

5-Bromo-2-fluoro-3-methylphenylboronic acid is an organoboron compound with the molecular formula C9H8BrFO3. It is a white powder with a characteristic odor and is insoluble in water. This compound is used in organic synthesis, particularly in the preparation of various pharmaceuticals and other chemical intermediates.

What are the main uses of 5-Bromo-2-fluoro-3-methylphenylboronic acid (CAS: 957120-61-5)?

5-Bromo-2-fluoro-3-methylphenylboronic acid is primarily used in the synthesis of complex organic molecules, including pharmaceuticals and agrochemicals. It serves as a protective group in the synthesis of functional groups and is also used in the preparation of boronic esters and boronate esters for various chemical transformations.

Is 5-Bromo-2-fluoro-3-methylphenylboronic acid (CAS: 957120-61-5) safe?

5-Bromo-2-fluoro-3-methylphenylboronic acid is generally safe when handled with appropriate precautions. It is not considered highly toxic, but it should be stored in a cool, dry place away from heat and open flames. Protective measures include wearing gloves and goggles to avoid direct contact with skin and eyes.

How should 5-Bromo-2-fluoro-3-methylphenylboronic acid (CAS: 957120-61-5) be stored?

5-Bromo-2-fluoro-3-methylphenylboronic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a well-ventilated area and in a sealed container to prevent moisture and contamination. The storage temperature should not exceed 30°C (86°F).