1,3-Phenylenediboronic acid

Basic Information

View in Editor

CAS Number

4612-28-6

Molecular Formula

C6H8B2O4

Molecular Weight

165.75 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

>300°C

Boiling Point

456.4℃ at 760 mmHg

Water Solubility

Slightly soluble in water.

SMILES

View in Editor

B(C1=CC(=CC=C1)B(O)O)(O)O

InChI

InChI=1S/C6H8B2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-12H

InChIKey

UXPAASVRXBULRG-UHFFFAOYSA-N

LogP

-2.953799999999999

Topological Polar Surface Area

80.92 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

128

Safety Information

View Safety Information

GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Synonyms & References

English

SCHEMBL789866
AKOS006222695
1,3-phenylenediboronic acid
1,3-phenylenediboronicacid
m-phenylenebisboronic acid
CS-W010816
UXPAASVRXBULRG-UHFFFAOYSA-N
AS-15396
DTXSID10282315
A826993
[3-(DIHYDROXYBORANYL)PHENYL]BORONIC ACID
NSC25409
Boronic acid, 1,3-phenylenebis-
MFCD03092915
1,3-Benzenediboronicacid
AB13149
AMY939
1,3-benzenediboronic acid
FT-0647468
(3-boronophenyl)boronic acid
m-Benzenediboronic acid
benzene-1,3-diyldiboronic acid
1,3-benzendiboronic acid
4612-28-6
m-phenylenediboronic acid
NSC-25409
SY043336
1,3-Benzenediboronic acid
1,3-Phenylenediboronic acid
1,3-Benzendibororic Acid
1,3-benzenediboronicacid

MDL Number

MFCD03092915

Customs Code

29310095

FAQ

What is 1,3-Phenylenediboronic acid (CAS: 4612-28-6)?

1,3-Phenylenediboronic acid is a boronic acid derivative with the CAS number 4612-28-6. It is a white solid with a molecular formula of C8H8BO3. This compound has a pKa of approximately 7.5 and is soluble in water and organic solvents. It is known for its reactivity towards diols and its applications in organic synthesis, particularly in Suzuki coupling reactions.

What are the main uses of 1,3-Phenylenediboronic acid (CAS: 4612-28-6)?

1,3-Phenylenediboronic acid is primarily used in organic synthesis, particularly for Suzuki coupling reactions, which are widely employed in the pharmaceutical and agrochemical industries for the preparation of heterocycles and biologically active compounds. It is also used in the preparation of boronic esters and as a reagent in multistep organic transformations.

Is 1,3-Phenylenediboronic acid (CAS: 4612-28-6) safe?

1,3-Phenylenediboronic acid is generally considered safe for laboratory use when handled with proper precautions. However, it is important to follow safety guidelines, such as wearing appropriate personal protective equipment (PPE) including gloves and goggles. This compound is not flammable but should be stored in a cool, dry place away from direct sunlight and heat sources to prevent degradation.

How should 1,3-Phenylenediboronic acid (CAS: 4612-28-6) be stored?

1,3-Phenylenediboronic acid should be stored in a cool, dry place away from direct sunlight and heat sources to maintain its stability. Protect it from moisture and store it in a tightly sealed container to prevent degradation. It is recommended to store it at a temperature range of 15-25°C (59-77°F) to ensure optimal conditions for long-term storage and reactivity.