1-Benzofuran-5-carbonitrile

Basic Information

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CAS Number

79002-39-4

Molecular Formula

C9H5NO

Molecular Weight

17.03 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

Melting Point

84 °C

Boiling Point

260.8°C at 760 mmHg

Density

1.22

Flash Point

111.6 °C

Refractive Index

1.627

SMILES

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C1=CC2=C(C=CO2)C=C1C#N

InChI

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

InChIKey

SXFQAFFSEZRQCJ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

193

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SY002469
FT-0650792
AMY22124
1-benzofuran-5-carbonitrile, AldrichCPR
DTXSID30383570
MFCD05664402
1-benzofuran-5-carbonitrile
EN300-1165274
CHEMBL3358216
SXFQAFFSEZRQCJ-UHFFFAOYSA-N
SCHEMBL827799
AKOS006282086
1-BENZOFURANE-5-CARBONITRILE
79002-39-4
BDBM50037780
MB03560
5-cyanobenzo(b)furan
Benzofuran-5-carbonitrile
J-504224
DS-12924
1-Benzofuran-5-carbonitrile
1-Benzofurane-5-carbonitrile
5-benzofurancarbonitrile
5-cyano-1-benzofuran
5-CYANO-BENZOFURAN
CYANOBENZOFURAN
PubChem9873
benzo[b]furan-5-carbonitrile
FCH835874
RW3182
SBB086282

MDL Number

MFCD05664402

Customs Code

2932999099

FAQ

What is 1-Benzofuran-5-carbonitrile (CAS: 79002-39-4)?

1-Benzofuran-5-carbonitrile is a heterocyclic aromatic organic compound with the CAS number 79002-39-4. It has the chemical formula C9H6N2O and is characterized by its benzene ring fused to a furan ring and a nitrile functional group. This compound is used in research and pharmaceuticals for its structural and chemical properties.

What are the main uses of 1-Benzofuran-5-carbonitrile (CAS: 79002-39-4)?

1-Benzofuran-5-carbonitrile is primarily used in research and in the development of pharmaceuticals. It serves as a precursor for the synthesis of other compounds and is also used in the preparation of dyes and pigments. Its unique chemical structure makes it valuable for various applications in organic synthesis.

Is 1-Benzofuran-5-carbonitrile (CAS: 79002-39-4) safe?

1-Benzofuran-5-carbonitrile is generally safe when handled with appropriate precautions. It is important to follow safety guidelines, such as wearing appropriate personal protective equipment (PPE) and conducting operations in a well-ventilated area. Inhalation and skin contact should be avoided, and it should be stored away from heat, sparks, and sources of ignition to prevent potential hazards.

How should 1-Benzofuran-5-carbonitrile (CAS: 79002-39-4) be stored?

1-Benzofuran-5-carbonitrile should be stored in a cool, dry, and well-ventilated area away from heat, sparks, and sources of ignition. It is best kept in a tightly sealed container to prevent exposure to air and moisture. Storage temperature should be maintained below 25°C to ensure stability and minimize degradation. Avoid direct sunlight and ensure the storage area is free from potential fire hazards.