1-Benzothiophen-2-ylboronic acid

Basic Information

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CAS Number

98437-23-1

Molecular Formula

C8H7BO2S

Molecular Weight

178.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

260°C

Boiling Point

390.2°C at 760 mmHg

Density

1.3500

Water Solubility

Insoluble in water.

Flash Point

189.8℃

Refractive Index

1.668

SMILES

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B(C1=CC2=CC=CC=C2S1)(O)O

InChI

InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H

InChIKey

YNCYPMUJDDXIRH-UHFFFAOYSA-N

LogP

0.5811000000000001

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

165

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BENZO[B]THIOPHENE-2-BORONIC ACID
BENZO[B]THIEN-2-YLBORONIC ACID
Bnezo[b]thiophen-2-boronic acid
J-519698
Benzo[b]thiophene-2-boronic acid (contains varying amounts of Anhydride)
benzo[b]thiophen-2-boronic acid
Q27095165
thianapthene-2-boronic acid
1-benzothien-2-ylboronic acid
1-benzothiophen-2-ylboronic acid, 18
InChI=1/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
DTXSID80274363
1-benzothiophen-2-yl-boronic acid
AKOS003585292
Thianaphthene-2-boronic acid
CS-W018486
benzo[b]thiophene2-boronic acid
(1-benzothiophen-2-yl)boronic acid
1-benzothiophen-2-ylboranediol
1-Benzothiophen-2-ylboronic acid
NCGC00092008-02
benzo(b)thiophene-2-boronic acid
SME05QG1FJ
(2-benzo[b]thienyl)boronic acid
FT-0622687
BENZO[B]THIOPHEN-2-YL-2-BORONIC ACID
benzo[b]thiophen-2-ylboronic acid
2-Benzothienylboronic acid;Benzo[b]thiophen-2-ylboronic acid
3fkv
Boronic acid, benzo[b]thien-2-yl-
3ixg

MDL Number

MFCD01075674

Customs Code

2934999090

FAQ

What is 1-Benzothiophen-2-ylboronic acid (CAS: 98437-23-1)?

1-Benzothiophen-2-ylboronic acid is an organic compound with the CAS number 98437-23-1. It is a boronic acid derivative with the molecular formula C9H7BrO2S. This compound is characterized by its aromatic thiophene ring and boronic acid functional group, making it useful in various chemical syntheses and reactions.

What are the main uses of 1-Benzothiophen-2-ylboronic acid (CAS: 98437-23-1)?

1-Benzothiophen-2-ylboronic acid is primarily used in organic synthesis, particularly in Suzuki couplings and cross-coupling reactions. It serves as a boronic acid component in these reactions, facilitating the formation of carbon-carbon bonds. Additionally, it finds applications in the pharmaceutical industry for the synthesis of complex molecules.

Is 1-Benzothiophen-2-ylboronic acid (CAS: 98437-23-1) safe?

1-Benzothiophen-2-ylboronic acid is generally considered safe when handled properly. However, it should be used with caution due to its potential for skin and eye irritation. Appropriate personal protective equipment, such as gloves and safety goggles, is recommended. Ensure proper ventilation and avoid inhalation of dust or fumes.

How should 1-Benzothiophen-2-ylboronic acid (CAS: 98437-23-1) be stored?

1-Benzothiophen-2-ylboronic 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 absorption. Store it in a well-ventilated area and ensure it is away from incompatible materials, such as strong oxidizing agents or bases.