1-Butyl-4-ethynylbenzene

Basic Information

View in Editor

CAS Number

79887-09-5

Molecular Formula

C12H14

Molecular Weight

158.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

No data available

Boiling Point

70-71°C at 3 mmHg

Density

0.906 g/mL at 25 °C

Refractive Index

n20/D 1.527(lit.)

SMILES

View in Editor

CCCCC1=CC=C(C=C1)C#C

InChI

InChI=1S/C12H14/c1-3-5-6-12-9-7-11(4-2)8-10-12/h2,7-10H,3,5-6H2,1H3

InChIKey

ZVWWYEHVIRMJIE-UHFFFAOYSA-N

LogP

3.01050

Complexity

152

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

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

A839778
FT-0687691
EN300-298703
4-Butylphenylacetylene
AM20060732
B2301
1-eth-1-ynyl-4-butylbenzene
1-n-butyl-4-ethynylbenzene
(p-butylphenyl)acetylene
P-BUTYLPHENYLACETYLENE
4-n-Butylphenylacetylene
CS-W016197
1-BUTYL-4-ETH-1-YNYLBENZENE
79887-09-5
1-butyl-4-ethynyl-benzene
1-Butyl-4-ethynylbenzene, 95%
1-Butyl-4-eth1-ynylbenzene
FT-0607561
ZVWWYEHVIRMJIE-UHFFFAOYSA-N
DS-14234
AKOS005146062
MFCD00173885
Benzene, 1-butyl-4-ethynyl-
SY018460
J-504476
DTXSID40379404
1-Butyl-4-ethynylbenzene
1-Butyl-4-eth-1-ynylbenzene
1-butyl-4-ethynylbenzene

MDL Number

MFCD00173885

Customs Code

2902909090

FAQ

What is 1-Butyl-4-ethynylbenzene (CAS: 79887-09-5)?

1-Butyl-4-ethynylbenzene is an organic compound with the chemical formula C12H14. It is characterized by a benzene ring substituted with a butyl group at the 1-position and an ethynyl group at the 4-position. This compound is known for its aromatic nature and hydrocarbon structure, making it a potential candidate in various chemical applications.

What are the main uses of 1-Butyl-4-ethynylbenzene (CAS: 79887-09-5)?

1-Butyl-4-ethynylbenzene is primarily used in pharmaceutical research and synthesis, as well as in the development of specialty chemicals and materials. Its unique structure makes it valuable for creating derivatives with specific functional properties, which can be applied in drug discovery, polymer science, and organic chemistry research.

Is 1-Butyl-4-ethynylbenzene (CAS: 79887-09-5) safe?

1-Butyl-4-ethynylbenzene is generally considered safe when handled properly. However, as with many organic compounds, it may pose risks if inhaled, ingested, or exposed to skin. Safety precautions include wearing appropriate protective gear, ensuring good ventilation, and following standard chemical handling protocols to minimize potential hazards.

How should 1-Butyl-4-ethynylbenzene (CAS: 79887-09-5) be stored?

1-Butyl-4-ethynylbenzene should be stored in a cool, dry, and well-ventilated area, away from light and heat sources. It is typically kept in a sealed container made of materials compatible with hydrocarbons, such as glass or stainless steel, to maintain stability and prevent contamination.