2-Benzofuran-1(3H)-one

Basic Information

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CAS Number

87-41-2

Molecular Formula

C8H6O2

Molecular Weight

134.13 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

73.0 to 76.0 deg-C

Boiling Point

290 °C

Density

1.1

Refractive Index

1.5360 (estimate)

SMILES

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c1ccc2c(c1)COC2=O

InChI

InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2

InChIKey

WNZQDUSMALZDQF-UHFFFAOYSA-N

LogP

1.357

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

153

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Isobenzofuran-1(3H)-one
1,3-DIHYDROBENZO[C]FURAN-1-ONE
1(3H)-ISOBENZOFURANONE
1-ISOBENZOFURANONE
1-OXOPHTHALAN
1-PHTHALANONE
2-BENZOFURAN-(3H)-ONE
A-HYDROXY-O-TOLUIC ACID LACTONE
AKOS 243-03
BENZO(C)FURAN-2-ONE
ISOBENZOFURANONE
O-HYDROXYMETHYLBENZOIC ACID LACTONE
OXOPHTHALANE
1,3-Dihydrobenzo[C]furan-2-one
2-Benzofuran-1(3H)-one
2-Hydroxymethylbenzoic acid, gamma-lactone
Phthalolactone
Phthalide
(3H)-isobenzofuran-1-one
1-Isobenzofuranone (Phthalide)
4-Pyridazinecarboxylic acid
1(3H)-4,5,6,7-tetrachloroisobenzofuranone
1H-Isobenzofuran-3-one
3-oxo-1,3-dihydro-isobenzofuran
4,5,6,7-tetrachloro-1(3H)-isobenzofuranone
4,5,6,7-tetrachloroisobenzofuran-1(3H)-one
4,5,6,7-TETRACHLOROPHTHALIDE
4,5,6,7-Tetrachlorophthalidefthalide
4,5,6,7-Tetrachlor-phthalid
Fthalide
isobenzofuran-1-one

MDL Number

MFCD00005906

Customs Code

29322980

FAQ

What is 2-Benzofuran-1(3H)-one (CAS: 87-41-2)?

2-Benzofuran-1(3H)-one, also known as 2-benzofuran-1-one, is an organic compound with the chemical formula C9H6O2. It is a heterocyclic ketone characterized by a furan ring fused to a benzene ring, with a carbonyl group at the 1-position. This compound is known for its aromaticity and is commonly used in organic synthesis and research due to its versatile reactivity.

What are the main uses of 2-Benzofuran-1(3H)-one (CAS: 87-41-2)?

2-Benzofuran-1(3H)-one is widely used in pharmaceutical research as a key intermediate in the synthesis of various drugs. It also finds applications in the production of dyes, perfumes, and other specialty chemicals. Additionally, it is used in the development of agrochemicals and as a building block in organic chemistry for creating more complex molecules.

Is 2-Benzofuran-1(3H)-one (CAS: 87-41-2) safe?

2-Benzofuran-1(3H)-one is generally considered safe when handled properly, but it should be treated with caution. As with many organic compounds, it may cause skin and eye irritation. Safety data sheets (SDS) recommend using appropriate personal protective equipment (PPE) such as gloves and safety goggles. It is important to follow standard chemical safety practices to ensure safe handling and exposure.

How should 2-Benzofuran-1(3H)-one (CAS: 87-41-2) be stored?

2-Benzofuran-1(3H)-one should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is typically kept in a sealed container made of glass or high-density polyethylene (HDPE) to maintain stability. Storage conditions should be below 25°C and in a humidity-controlled environment to prevent degradation and contamination.