1-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile

Basic Information

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CAS Number

82104-74-3

Molecular Formula

C9H5NO2

Molecular Weight

159.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

201.0 to 205.0 deg-C

Boiling Point

407.5 °C at 760 mmHg

Density

1.3600

Flash Point

407.5 °C at 760 mmHg

Refractive Index

1.606

SMILES

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C1C2=C(C=CC(=C2)C#N)C(=O)O1

InChI

InChI=1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2

InChIKey

XEEGWTLAFIZLSF-UHFFFAOYSA-N

LogP

1.22868

Complexity

253

Safety Information

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GHS Hazard Pictograms

H302

H312

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Synonyms & References

English

NS00008755
C2001
5-Isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-
Diethyl 1-butylpyrrolidine-2,5-dicarboxylate
1-oxo-3H-2-benzofuran-5-carbonitrile
5-Cyanophthalide, 97%
BCP13095
SY051382
AR-011/40257489
FT-0620351
1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile
5-cyano phthalide
BP-12876
EC 279-900-2
XEEGWTLAFIZLSF-UHFFFAOYSA-N
EN300-396646
AC9502
A840246
AC-5340
1-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile
AS-11983
DTXSID40868641
AMY40169
5-Cyanophthalid
CS-W016184
MFCD01072882
B8XZJ4L2MB
5-Cyanophthalide
AKOS015836116
1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile
82104-74-3

MDL Number

MFCD01072882

Customs Code

2932999099

FAQ

What is 1-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 82104-74-3)?

1-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 82104-74-3) is an organic compound containing a benzofuran ring with a nitrile group at the 5-position and a ketone group at the 1-position. It is known for its stability and reactivity in chemical reactions, making it a valuable intermediate in the synthesis of various pharmaceutical and chemical products.

What are the main uses of 1-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 82104-74-3)?

1-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 82104-74-3) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, polymer chemistry, and as a precursor for various functional compounds in industrial and research settings.

Is 1-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 82104-74-3) safe?

1-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 82104-74-3) is generally considered safe when handled properly. However, it should be used with appropriate safety measures, including protective gloves and eyewear, due to potential irritant properties. Always follow standard chemical safety protocols and consult material safety data sheets (MSDS) for detailed information.

How should 1-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 82104-74-3) be stored?

1-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile (CAS: 82104-74-3) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container at a temperature below 25°C to maintain stability and prevent degradation.