1-Benzofuran-2(3H)-one

Basic Information

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CAS Number

553-86-6

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

49-51 °C

Boiling Point

248-250 °C

Solubility

H2O: soluble3.8g/L at 30°C

Refractive Index

1.4800 (estimate)

SMILES

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C1C2=CC=CC=C2OC1=O

InChI

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

InChIKey

ACZGCWSMSTYWDQ-UHFFFAOYSA-N

LogP

1.1481

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

153

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

EC 209-052-0
UNII-4K47Z4Q1E7
2(3H)-Benzofuranone
AKOS009031219
NSC 227414
2,3-dihydrobenzofuran-2-one
SCHEMBL44758
AS-18012
ACETIC ACID, (O-HYDROXYPHENYL)-, .GAMMA.-LACTONE
2-Coumarotioiie
A26517
L10016
Benzofuran-2(3H)-one
3H-1-benzofuran-2-one
DTXSID70203829
EINECS 209-052-0
AI3-36067
NSC-227414
(3H)-Benzofuran-2-one
2,3-dihydro-2-benzofuranone
Q27259814
Benzofuranone
2-Coumaranone, 97%
Isophthalide
553-86-6
Benzofuran-2-one
2-coumaranone; (3h)-benzofuran-2-one
BENZO(B)FURAN-2(3H)-ONE
BDBM50029069
EN300-21214
2-Coumaranone

MDL Number

MFCD00005856

Customs Code

2932209090

FAQ

What is 1-Benzofuran-2(3H)-one (CAS: 553-86-6)?

1-Benzofuran-2(3H)-one, also known as 2(3H)-benzofuranone, is an organic compound with the CAS number 553-86-6. It has the chemical formula C8H6O2 and is characterized by a benzofuran ring with a ketone group at the 2-position. This compound is a yellow solid with a molecular weight of 138.13 g/mol and is commonly used in organic synthesis and medicinal chemistry due to its aromatic structure and functional reactivity.

What are the main uses of 1-Benzofuran-2(3H)-one (CAS: 553-86-6)?

1-Benzofuran-2(3H)-one finds applications in pharmaceutical research as a building block for drug development, particularly in the synthesis of anti-inflammatory and analgesic compounds. It is also used in the fragrance industry for its aromatic properties and in organic chemistry as a versatile intermediate for creating various derivatives. Its unique structure makes it valuable in the study of bioactive molecules and natural products.

Is 1-Benzofuran-2(3H)-one (CAS: 553-86-6) safe?

1-Benzofuran-2(3H)-one is generally considered safe when handled properly, but it should be treated with caution due to its potential irritancy. Safety data suggests that it may cause skin or eye irritation upon contact. It is recommended to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. Always follow standard chemical safety protocols and storage guidelines to minimize risks.

How should 1-Benzofuran-2(3H)-one (CAS: 553-86-6) be stored?

1-Benzofuran-2(3H)-one should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is sensitive to moisture and light, so it is best kept in a sealed, airtight container. Storage in a well-ventilated area is recommended, and it should be protected from direct sunlight to maintain stability and prevent degradation.