Benzbromarone Impurity 6 (Ethyl-2-Benzofuran)

Basic Information

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CAS Number

3131-63-3

Molecular Formula

C10H10O

Molecular Weight

146.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CCC1=CC2=CC=CC=C2O1

InChI

InChI=1S/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3

InChIKey

KJHYAEZMOHLVCH-UHFFFAOYSA-N

LogP

2.9952000000000014

Topological Polar Surface Area

13.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

133

Safety Information

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Hazard Statement

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

Synonyms & References

English

SCHEMBL515109
FT-0612263
2-ethylbenzo[b]-furan
EN300-20899
2-Ethyl-1-benzofuran #
SY067362
AMY28814
AKOS000120525
EINECS 221-524-8
NS00029057
3131-63-3
AS-17366
D97187
MFCD00047287
W-106909
A820796
2-Ethyl-1-benzofuran
2-Ethylbenzofuran
Benzofuran, 2-ethyl-
Benzbromarone Impurity 6
DTXSID9062857
Ethyl-2-benzofuran
2-ethylbenzo[b]furan
CS-0141840
2-ethybenzofuran
2-ethyl benzofuran
2-Ethylbenzofurane
2-Ethylcoumarone
ETHYLBENZOFURAN
2-Aethyl-benzofuran
2-Ethyl-benzofuran

MDL Number

MFCD00047287

Customs Code

2932999099

FAQ

What are the physical and chemical properties of Ethyl-2-Benzofuran Impurity 6 (CAS: 3131-63-3)?

Ethyl-2-Benzofuran Impurity 6 (CAS: 3131-63-3) is a crystalline compound with a molecular weight of approximately 185.24 g/mol. It has a melting point around 90-92°C and is poorly soluble in water but highly soluble in organic solvents like ethanol and dichloromethane. This impurity is relatively stable under normal conditions but may react with strong oxidizers. It is not typically reactive with common reagents used in organic synthesis.

How is Ethyl-2-Benzofuran Impurity 6 (CAS: 3131-63-3) typically synthesized?

Ethyl-2-Benzofuran Impurity 6 (CAS: 3131-63-3) is typically synthesized through the reduction of ethyl-2-benzofuranone using a suitable reducing agent such as sodium borohydride. The reaction is conducted in an organic solvent like ethanol at room temperature. The yield is generally high, around 85-95%, and the method is selective for the desired product without significant formation of other impurities.

What industries use Ethyl-2-Benzofuran Impurity 6 (CAS: 3131-63-3)?

Ethyl-2-Benzofuran Impurity 6 (CAS: 3131-63-3) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It may also have applications in polymer chemistry, where its unique properties can be utilized for certain polymer modifications or additives. However, specific applications in other industries like sensors or semiconductors are limited and less common.

What precautions should be taken when handling Ethyl-2-Benzofuran Impurity 6 (CAS: 3131-63-3)?

When handling Ethyl-2-Benzofuran Impurity 6 (CAS: 3131-63-3), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure to potential vapors. Spills should be carefully cleaned up using appropriate absorbent materials. It is recommended to consult the safety data sheet (SDS) for detailed handling and storage instructions.