1,3-Diethynylbenzene

Basic Information

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CAS Number

1785-61-1

Molecular Formula

C10H6

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

2.5 ºC

Boiling Point

188-189 °C

Refractive Index

n20/D 1.5820(lit.)

SMILES

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C#CC1=CC(=CC=C1)C#C

InChI

InChI=1S/C10H6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8H

InChIKey

PNXLPYYXCOXPBM-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

173

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

AMY38468
YSWG158
1,3-diethynyl-benzene
PNXLPYYXCOXPBM-UHFFFAOYSA-N
MFCD00041686
E10067
AS-46667
AKOS006223442
A812383
FT-0628177
M-DIETHYNYLBENZENE
Benzene,1,3-diethynyl-
SY050047
Benzene, 1,3-diethynyl-
J-011386
CHEMBL449036
InChI=1/C10H6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8
DTXSID20170491
D2496
EN300-1842440
1,3-Diethynylbenzene
1,3-Diethynylbenzene, 97%
1785-61-1
CS-0146301
1,3-DIETHYNYLBENZENE
m-Diethylnylbenzene
1,3-bis(diethynyl)benzene
1,3-bis(ethynyl)benzene
1,3-diethynylenebenzene
Benzene,1,3-diethynyl
meta-diethynylbenzene

MDL Number

MFCD00041686

Customs Code

2902909090

FAQ

What regulatory guidelines apply to 1,3-Diethynylbenzene (CAS: 1785-61-1)?

1,3-Diethynylbenzene (CAS: 1785-61-1) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a Category 1A flammable liquid. It is also subject to theREACH regulations in the European Union, which require manufacturers and importers to register substances above a certain tonnage threshold. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have specific requirements for the handling, storage, and transportation of this compound. Adequate safety data sheets (SDS) must be available for all stakeholders involved in its use.

Are there alternatives to 1,3-Diethynylbenzene (CAS: 1785-61-1) in synthesis?

1,3-Diethynylbenzene (CAS: 1785-61-1) is a specific compound that can be synthesized through various methods. Alternative reagents and synthetic routes include using other diethynylbenzenes or related compounds such as 1,3-diethynylbenzene isomers. Other synthetic strategies might involve using different starting materials, such as phenylacetylene or other alkyne compounds, which can be manipulated to form similar products. The choice of alternative reagents depends on the desired end product and the specific requirements of the synthesis.

What is the market or research trend for 1,3-Diethynylbenzene (CAS: 1785-61-1)?

The market for 1,3-Diethynylbenzene (CAS: 1785-61-1) is relatively niche, primarily used in organic synthesis and certain industrial applications. Research trends are focused on its use as a building block for the synthesis of more complex organic molecules, particularly in the fields of pharmaceuticals and materials science. Emerging research is exploring its potential in catalysis and as a precursor for functionalized compounds. However, due to its specific properties and limited demand, market trends are slow to change.

How should waste containing 1,3-Diethynylbenzene (CAS: 1785-61-1) be handled?

Waste containing 1,3-Diethynylbenzene (CAS: 1785-61-1) should be handled carefully to ensure safety and environmental protection. Waste should be collected in appropriate, labeled containers and stored in a secure, well-ventilated area away from ignition sources. Proper incineration or professional waste disposal services should be utilized to manage the waste. Environmental protection measures include the use of personal protective equipment (PPE) and following local and national regulations for hazardous waste disposal. It is crucial to follow all safety guidelines and consult with waste management experts to ensure compliance with regulatory requirements.