1-Ethynyl-4-propylbenzene

Basic Information

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CAS Number

62452-73-7

Molecular Formula

C11H12

Molecular Weight

134.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

204.9°C at 760 mmHg

Density

0.910

Flash Point

67.1℃

Refractive Index

1.5340

SMILES

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CCCC1=CC=C(C=C1)C#C

InChI

InChI=1S/C11H12/c1-3-5-11-8-6-10(4-2)7-9-11/h2,6-9H,3,5H2,1H3

InChIKey

UVFFOABHOIMLNB-UHFFFAOYSA-N

LogP

2.9475200000000017

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

141

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Light Sensitive

Synonyms & References

English

4-Propylphenylacetylene
FT-0607724
4-Propylphenylacetylene;4-n-Propylphenylacetylene
MFCD00173886
1-(1-ethynyl)-4-propylbenzene
4-propyl-1-ethynylbenzene
4-n-propylphenyl ethine
AC-4956
DTXSID00379405
A833780
P-PROPYLETHYNYLBENZENE
CS-W016378
1-ethynyl-4-propyl-benzene
1-Ethynyl-4-propylbenzene
BCP26173
EN300-2489149
UVFFOABHOIMLNB-UHFFFAOYSA-N
1-eth-1-ynyl-4-propylbenzene, AldrichCPR
J-504584
1-n-propyl-4-ethynyl-benzene
1-n-propyl-4-ethynylbenzene
DS-1119
E0750
AKOS005146104
Benzene, 1-ethynyl-4-propyl-
4-propyl phenylacetylene
1-ETH-1-YNYL-4-PROPYLBENZENE
4-n-Propylphenylacetylene
SY018919
62452-73-7
1-Eth-1-ynyl-4-propylbenzene

MDL Number

MFCD00173886

Customs Code

2902909090

FAQ

What are the physical and chemical properties of 1-Ethynyl-4-propylbenzene (CAS: 62452-73-7)?

1-Ethynyl-4-propylbenzene (CAS: 62452-73-7) is a clear, colorless liquid with a molecular weight of approximately 154.24 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. This compound is relatively stable under normal conditions but can undergo polymerization reactions under certain conditions. It reacts with halogens, acids, and bases depending on the reaction conditions.

How is 1-Ethynyl-4-propylbenzene (CAS: 62452-73-7) typically synthesized?

1-Ethynyl-4-propylbenzene (CAS: 62452-73-7) is usually synthesized via a Grignard reaction. Propargyl bromide reacts with a methyl Grignard reagent in the presence of a suitable solvent like THF. The product is then quenched with an acid, followed by purification using distillation or recrystallization techniques. This process yields a high purity product with good selectivity and yield.

What industries use 1-Ethynyl-4-propylbenzene (CAS: 62452-73-7)?

1-Ethynyl-4-propylbenzene (CAS: 62452-73-7) finds applications in the pharmaceutical industry for intermediate synthesis, in the polymer industry for developing functional materials, and in the sensor industry for creating selective sensors. It also has potential uses in semiconductor manufacturing for catalytic applications.

What precautions should be taken when handling 1-Ethynyl-4-propylbenzene (CAS: 62452-73-7)?

When handling 1-Ethynyl-4-propylbenzene (CAS: 62452-73-7), it is crucial to wear appropriate personal protective equipment (PPE) such as chemical-resistant gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be immediately cleaned up using absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.