2-butyl benzofuran

Basic Information

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CAS Number

4265-27-4

Molecular Formula

C12H14O

Molecular Weight

174.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

129°C/15mmHg

Flash Point

101°C

Refractive Index

1.5330

SMILES

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CCCCC1=CC2=CC=CC=C2O1

InChI

InChI=1S/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h4-6,8-9H,2-3,7H2,1H3

InChIKey

OVJKFJDEVKABNF-UHFFFAOYSA-N

LogP

3.775400000000003

Topological Polar Surface Area

13.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

155

Synonyms & References

English

NS00031221
W-106267
A825975
2-butyl benzofuran
2-n-butylbenzofurane
4265-27-4
B1824
InChI=1/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h4-6,8-9H,2-3,7H2,1H3
2-Butyl-1-benzofuran
AC-18725
CS-0206015
butylbenzofuran
2-n-butyl-benzofuran
2-n-Butylbezofuran
Benzofuran, 2-butyl-
2-Butylbenzofuran
EINECS 224-250-7
2-Butyl-benzofuran
AKOS009031452
3KA2P78NH7
2-n-Butylbenzo[b]furan
2-(1-hydroxyethyl)-2-imidazoline
2-butylbenzo[b]furan
SCHEMBL1287509
Butyl-2-benzofuran
AS-56882
2-Butyl-1-benzofuran #
OVJKFJDEVKABNF-UHFFFAOYSA-
Z104477760
DTXSID90195378
2-n-Butylbenzofuran

MDL Number

MFCD00005851

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 2-butyl benzofuran (CAS: 4265-27-4)?

2-Butyl benzofuran (CAS: 4265-27-4) is a colorless to light yellow liquid at room temperature. Its molecular weight is approximately 148.22 g/mol. It has a solubility of up to 10 g/L in water and is soluble in common organic solvents like ethanol and acetone. It is generally stable under normal conditions but may react with strong oxidizing agents.

How is 2-butyl benzofuran (CAS: 4265-27-4) typically synthesized?

2-Butyl benzofuran is typically synthesized by the reaction of benzaldehyde with 1-butanol in the presence of a strong acid like sulfuric acid as a catalyst. The reaction is exothermic and selective, yielding a high purity product with a yield of around 80%. The reaction mechanism involves the formation of an acyloin intermediate, followed by dehydration and rearrangement to form the desired benzofuran derivative.

What industries use 2-butyl benzofuran (CAS: 4265-27-4)?

2-Butyl benzofuran (CAS: 4265-27-4) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs; in the polymer industry, it is used in the production of polyurethane and other polymers; it also finds applications in the manufacturing of sensors and semiconductors due to its chemical properties.

What precautions should be taken when handling 2-butyl benzofuran (CAS: 4265-27-4)?

When handling 2-butyl benzofuran (CAS: 4265-27-4), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be immediately cleaned up using absorbent materials, and the area should be rinsed with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.