5-Bromo-2-benzofuran-1(3H)-one

Basic Information

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CAS Number

64169-34-2

Molecular Formula

C8H5BrO2

Molecular Weight

213.03 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

164.0 to 168.0 deg-C

Boiling Point

377.7℃ at 760 mmHg

Solubility

Soluble in acetone.

SMILES

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Brc1ccc2C(=O)OCc2c1

InChI

InChI=1S/C8H5BrO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2

InChIKey

IUSPXLCLQIZFHL-UHFFFAOYSA-N

LogP

2.1195

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

181

Safety Information

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GHS Hazard Pictograms

H412

Hazard Statement

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

5-Bromophthalide
5-BROMO-1(3H)-ISOBENZOFURANONE
5-BROMO-3H-ISOBENZOFURANONE
5-BROMO-2-BENZOFURAN-(3H)-ONE
5-Bromo-1-isobenzofuranone
5-bromo-3H-isobenzofuran-1-one
5-bromo-1,3-dihydro-isobenzofuran-1-one
5-bromo-2-benzofuran-1(3H)-one
5-bromoisobenzofuran-1(3H)-one
5-bromo-phthalide
5-BroMophthalide 100GR
5-BroMophthalide 25GR
5-Brom-phthalid
5-bromo-1,3-dihydro-2-benzofuran-1-one

MDL Number

MFCD01797360

Customs Code

2932209090

FAQ

What is 5-Bromo-2-benzofuran-1(3H)-one (CAS: 64169-34-2)?

5-Bromo-2-benzofuran-1(3H)-one is a brominated heterocyclic compound with the molecular formula C9H6BrO2. It is a yellow solid with a characteristic aromatic odor. The compound exhibits moderate solubility in organic solvents and is commonly used in chemical synthesis due to its reactivity and structural versatility.

What are the main uses of 5-Bromo-2-benzofuran-1(3H)-one (CAS: 64169-34-2)?

5-Bromo-2-benzofuran-1(3H)-one is primarily used in pharmaceutical research as a building block for the synthesis of various bioactive compounds. It also finds applications in organic chemistry for the development of new materials and in analytical chemistry for structure elucidation and as a standard reference substance.

Is 5-Bromo-2-benzofuran-1(3H)-one (CAS: 64169-34-2) safe?

5-Bromo-2-benzofuran-1(3H)-one is considered toxic upon inhalation or ingestion. It should be handled with appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Safety data sheets (SDS) recommend caution in its use and disposal to comply with chemical safety standards.

How should 5-Bromo-2-benzofuran-1(3H)-one (CAS: 64169-34-2) be stored?

5-Bromo-2-benzofuran-1(3H)-one should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed container at a temperature below 25°C and in a humidity-controlled environment to maintain stability and prevent degradation.