1-Benzofuran-3-ylacetic acid

Basic Information

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CAS Number

64175-51-5

Molecular Formula

C10H8O3

Molecular Weight

176.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

89.2-91.2 ºC

Boiling Point

331.1°C at 760 mmHg

Density

1.316±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=CC=C2C(=C1)C(=CO2)CC(=O)O

InChI

InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)

InChIKey

QWMVFCMIUUHJDH-UHFFFAOYSA-N

LogP

2.0599

Topological Polar Surface Area

50.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

202

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

QWMVFCMIUUHJDH-UHFFFAOYSA-N
MQB
AKOS006229963
FS-3384
benzofuran-3-yl-acetic acid
3-benzofuranacetic acid, AldrichCPR
AM85861
PB47492
J-506223
1-benzofuran-3-yl acetic acid
benzofuran-3-ylacetic acid
SY045626
64175-51-5
2-(1-benzofuran-3-yl)acetic acid
2-(3-benzofuranyl)acetic acid
Z119989454
BCP32342
2-(1-benzofuran-3-yl)ethanoic acid
CHEBI:194611
benzofuran-3-acetic acid
2-(benzofuran-3-yl)acetic acid
BENZO[B]FURAN-3-YLACETIC ACID
MFCD04114279
SCHEMBL1027115
2-(1-benzouran-3-yl)acetic acid
2-(Benzofuran-3-yl)acetic acid;3-Benzofuranacetic acid
F8889-0345
3-Benzofuranacetic acid
DTXSID40376594
EN300-08022
FT-0640933

MDL Number

MFCD04114279

Customs Code

2932999099

FAQ

What regulatory guidelines apply to 1-Benzofuran-3-ylacetic acid (CAS: 64175-51-5)?

1-Benzofuran-3-ylacetic acid (CAS: 64175-51-5) is regulated under the GHS (Global Harmonized System of Classification and Labelling of Chemicals) for its health, environmental, and physical hazards. It is also subject to REACH regulations in the European Union, requiring manufacturers and importers to register the substance and provide safety data sheets. In the U.S., the FDA and EPA have specific requirements for the use and handling of this compound, including registration under the Toxic Substances Control Act (TSCA) and compliance with environmental protection regulations.

Are there alternatives to 1-Benzofuran-3-ylacetic acid (CAS: 64175-51-5) in synthesis?

Several alternatives to 1-Benzofuran-3-ylacetic acid (CAS: 64175-51-5) exist in synthesis, such as benzoic acid and 3-benzofurandicarboxylic acid, which can be used as starting materials or intermediates in similar reactions. Additionally, isomers like 2-benzofuran-3-ylacetic acid and 1,3-benzofuran-3-ylacetic acid can be considered as alternative reagents depending on the specific synthesis requirements.

What is the market or research trend for 1-Benzofuran-3-ylacetic acid (CAS: 64175-51-5)?

The market for 1-Benzofuran-3-ylacetic acid (CAS: 64175-51-5) is growing due to its applications in pharmaceuticals, agrochemicals, and functional food additives. Research trends are focusing on its potential as a bioactive molecule for drug discovery and as a precursor in the synthesis of complex organic molecules. Price trends are influenced by supply chain dynamics and demand from various industries, with emerging research fields driving increased interest.

How should waste containing 1-Benzofuran-3-ylacetic acid (CAS: 64175-51-5) be handled?

Waste containing 1-Benzofuran-3-ylacetic acid (CAS: 64175-51-5) should be collected in appropriate containers and stored in a well-ventilated area away from incompatible materials. Incineration is a common method for disposal, but it should be conducted in accordance with local regulations. For non-incineration methods, professional waste disposal services are recommended to ensure environmental protection and compliance with safety and regulatory requirements. Proper labeling and documentation of the waste are essential for safe handling and disposal.