Ethyl 1-benzofuran-2-carboxylate

Basic Information

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CAS Number

3199-61-9

Molecular Formula

C11H10O3

Molecular Weight

190.2 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

29-34 °C

Boiling Point

274°C at 760 mmHg

Refractive Index

1.5640 (estimate)

SMILES

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CCOC(=O)C1=CC2=CC=CC=C2O1

InChI

InChI=1S/C11H10O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3

InChIKey

KAWQPOUWLVOHKU-UHFFFAOYSA-N

LogP

2.6095000000000006

Topological Polar Surface Area

39.44 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

215

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID60348894
FT-0600480
2-ethoxycarbonylbenzofurane
Ethyl Benzofuran-2-carboxylate
Ethyl benzofuran-2-carboxylate, 97%
KAWQPOUWLVOHKU-UHFFFAOYSA-N
InChI=1/C11H10O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H
SCHEMBL2775850
CS-0030572
EN300-748941
BB 0244007
J-521245
A821092
CCG-138913
AKOS000114246
2-carbethoxybenzofuran
benzofuran-2-carboxylic acid ethyl ester
CHEMBL1090985
2-benzofurancarboxylic acid, ethyl ester
ethyl 1-benzofuran-2-carboxylate
3199-61-9
HMS3445I03
LC-0201
2-Benzofurancarboxylic acid ethyl ester
MFCD03094950
Ethyl 2-benzofurancarboxylate
Ethyl coumarilate
Ethyl benzofuran-2-carboxylate
2-BENZOFURANCARBOXYLIC ACID ETHYL ESTER
Benzofuran-2-carboxlic acid ethyl ester
Ethyl 1-benzofuran-2-carboxylate

MDL Number

MFCD03094950

Customs Code

2932999099

FAQ

What regulatory guidelines apply to Ethyl 1-benzofuran-2-carboxylate (CAS: 3199-61-9)?

Ethyl 1-benzofuran-2-carboxylate (CAS: 3199-61-9) falls under multiple regulatory guidelines. It requires GHS classification for hazardous chemicals, adhering to the Globally Harmonized System of Classification and Labelling of Chemicals. In Europe, it is regulated under REACH for substance registration, evaluation, authorization, and restriction. FDA and EPA have their own specific guidelines for the handling and use of this compound in pharmaceuticals and environmental assessments. Companies must ensure compliance with local and international regulations to avoid legal and safety issues.

Are there alternatives to Ethyl 1-benzofuran-2-carboxylate (CAS: 3199-61-9) in synthesis?

Ethyl 1-benzofuran-2-carboxylate (CAS: 3199-61-9) can be synthesized using various alternative reagents and methodologies. Common alternatives include other ester derivatives of benzofuran, such as methyl or propyl benzofuran-2-carboxylates, which can be used in similar applications. Isomers like 1,2-benzofuran-2-carboxylic acid methyl ester can also serve as viable substitutes in some synthesis processes. The choice of alternative largely depends on the specific reaction conditions and desired properties.

What is the market or research trend for Ethyl 1-benzofuran-2-carboxylate (CAS: 3199-61-9)?

The market for Ethyl 1-benzofuran-2-carboxylate (CAS: 3199-61-9) is driven by its use in pharmaceuticals, agrochemicals, and dye intermediates. Recent research trends focus on developing new synthetic routes and exploring its potential in novel drug discovery and functional materials. Market demand is likely to grow with increasing demand from pharmaceutical industries and the identification of new applications. However, price trends can fluctuate based on supply demand and raw material availability.

How should waste containing Ethyl 1-benzofuran-2-carboxylate (CAS: 3199-61-9) be handled?

Waste containing Ethyl 1-benzofuran-2-carboxylate (CAS: 3199-61-9) should be collected in appropriate containers and stored in a secure, well-ventilated area away from ignition sources. Incineration is a common method for disposal, but professional waste disposal services are recommended to ensure compliance with environmental regulations. Precautions include proper labeling and recording of waste, following local and international disposal guidelines to prevent environmental contamination. Companies should consult with environmental health and safety experts to develop a comprehensive waste management plan.