1H-Indol-3-ylboronic acid

Basic Information

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CAS Number

741253-05-4

Molecular Formula

C8H8BNO2

Molecular Weight

160.97 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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B(C1=CNC2=CC=CC=C12)(O)O

InChI

InChI=1S/C8H8BNO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10-12H

InChIKey

PTTHBZMGHRDZCV-UHFFFAOYSA-N

LogP

-0.1523000000000002

Topological Polar Surface Area

56.25 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

165

Synonyms & References

English

AC-1767
CS-0100348
FT-0649620
Indole-3-boronic acid
FT-0659580
A838025
Boronic acid, 1H-indol-3-yl-
(1H-Indol-3-yl)boronicacid
AB13389
MFCD03094806
(indol-3-yl)boronic acid
J-521533
SCHEMBL371377
DTXSID10625167
741253-05-4
AM81148
AKOS006278058
(1H-Indol-3-yl)boronic acid
1H-indol-3-ylboronic acid
1H-Indol-3-ylboronic acid
(1H-indol-3-yl)boronic acid

MDL Number

MFCD03094806

FAQ

What is 1H-Indol-3-ylboronic acid (CAS: 741253-05-4)?

1H-Indol-3-ylboronic acid is an organic compound with the CAS number 741253-05-4. It is a boronic acid derivative of indole and is used in various chemical syntheses and as a building block in medicinal chemistry.

What are the main uses of 1H-Indol-3-ylboronic acid (CAS: 741253-05-4)?

1H-Indol-3-ylboronic acid is primarily used in organic synthesis, particularly in the Suzuki-Miyaura coupling reaction. It is also employed as a functional group in medicinal chemistry and drug discovery.

Is 1H-Indol-3-ylboronic acid (CAS: 741253-05-4) safe?

1H-Indol-3-ylboronic acid is generally safe when handled with appropriate precautions. It is important to wear protective gloves and goggles during handling and to avoid contact with skin and eyes. Storage should be in a cool, dry place away from direct sunlight and heat sources.

How should 1H-Indol-3-ylboronic acid (CAS: 741253-05-4) be stored?

1H-Indol-3-ylboronic acid should be stored in a tightly sealed container in a cool, dry place, protected from light and heat. It should be kept at room temperature (15-25°C) and away from sources of ignition and incompatible materials.