Benzofuran-4-carbonitrile

Basic Information

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CAS Number

95333-17-8

Molecular Formula

C9H5NO

Molecular Weight

132.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

260.8±13.0 ºC (760 Torr),

Density

1.22±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

111.6±19.8 ºC,

SMILES

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C1=CC(=C2C=COC2=C1)C#N

InChI

InChI=1S/C9H5NO/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5H

InChIKey

VCQONKRSTAUGEP-UHFFFAOYSA-N

LogP

2.741220000000001

Topological Polar Surface Area

13.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

193

Synonyms & References

English

4-Benzofurancarbonitrile
Benzofuran-4-carbonitrile
1-benzofuran-4-carbonitrile
benzo[b]furan-4-carbonitrile
VCQONKRSTAUGEP-UHFFFAOYSA-N
FCH882412
MB08822
AS06446
TRA0046694
CM10758
SY025675
AK209009
AC2211
SCHEMBL506731
BENZOFURAN-4-CARBONITRILE
DA-35171
CS-11583
1-BENZOFURAN-4-CARBONITRILE
VDA33317
AKOS006302748
4-BENZOFURANCARBONITRILE
MFCD10699413
95333-17-8
DTXSID001313266

MDL Number

MFCD10699413

FAQ

What are the physical and chemical properties of Benzofuran-4-carbonitrile (CAS: 95333-17-8)?

Benzofuran-4-carbonitrile is a crystalline solid with a molecular weight of approximately 145.13 g/mol. It has a low water solubility and moderate solubility in organic solvents. This compound is characterized by its reactivity, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but can undergo photochemical reactions.

How is Benzofuran-4-carbonitrile (CAS: 95333-17-8) typically synthesized?

Benzofuran-4-carbonitrile is typically synthesized through the reaction of benzofuran with hydrocyanic acid or its derivatives. This process can also be achieved through the nitrile addition to the furan ring using appropriate conditions, often involving a catalyst to enhance selectivity and yield. The method can vary depending on the desired scale and purity requirements.

What industries use Benzofuran-4-carbonitrile (CAS: 95333-17-8)?

Benzofuran-4-carbonitrile is used in various industries. It finds applications in pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also utilized in the polymer industry for enhancing properties of plastics and in the development of sensors and semiconductor materials due to its unique chemical properties.

What precautions should be taken when handling Benzofuran-4-carbonitrile (CAS: 95333-17-8)?

When handling Benzofuran-4-carbonitrile, it is essential to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Disposal should be done according to local regulations, and spills should be cleaned up with appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed instructions.