(2-phenylethynyl)benzene

Basic Information

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CAS Number

501-65-5

Molecular Formula

C14H10

Molecular Weight

178.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

58.0 to 62.0 deg-C

Boiling Point

170 °C/19 mmHg

Water Solubility

Miscible with ether and hot alcohol. Immiscible with water.

Flash Point

170°C/19mm

Refractive Index

1.6415 (estimate)

SMILES

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C1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H

InChIKey

JRXXLCKWQFKACW-UHFFFAOYSA-N

LogP

3.08640

Complexity

193

Safety Information

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Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

D0871
Diphenylacetylene, 98%
NS00032006
25989-14-4
DIPHENYLACETYLENE
(Phenylethynyl)benzene
(Phenylethynyl)benzene;1,1'-(1,2-Ethanediyl)bisbenzene;1,1?-(1,2-ethynediyl)bis-benzen;1,1?-(1,2-Ethynediyl)bisbenzene;1,2-Diphenylacetylene
diphenyl-acetylene
AI3-04360
1,2-diphenyl ethyne
SY012762
NSC 5185
Biphenyl acetylene
UNII-Y70JA8HB75
(2-phenylethynyl)benzene
1,1'-ethyne-1,2-diyldibenzene
1,2-Diphenylacetylene
Ethyne, diphenyl-
CHEBI:51579
J-520382
YSWG033
501-65-5
NSC5185
BDBM50476289
EN300-19945
DTXSID4060109
InChI=1/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10
CS-W017313
AC-18803
AKOS004901131
Benzene,1'-(1,2-ethynediyl)bis-

MDL Number

MFCD00004786

Customs Code

2902909090

FAQ

What regulatory guidelines apply to (2-phenylethynyl)benzene (CAS: 501-65-5)?

(2-phenylethynyl)benzene (CAS: 501-65-5) falls under various regulatory frameworks. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it is classified as flammable liquid category 3. In the European Union, it is regulated under REACH, requiring suppliers to provide safety data sheets and register substances above a certain tonnage. Additionally, the FDA and EPA have specific guidelines for its handling, storage, and disposal in the context of pharmaceutical and industrial applications.

Are there alternatives to (2-phenylethynyl)benzene (CAS: 501-65-5) in synthesis?

Alternative reagents to (2-phenylethynyl)benzene (CAS: 501-65-5) in synthesis include 1-phenylethenol and phenylacetylene, which offer similar functionality but can be easier to handle. Isomers such as 1-phenylethylene can also serve as viable alternatives. These compounds are often used in polymer synthesis and as intermediates in the production of pharmaceuticals and dyes.

What is the market or research trend for (2-phenylethynyl)benzene (CAS: 501-65-5)?

The market and research trends for (2-phenylethynyl)benzene (CAS: 501-65-5) are driven by its use in developing advanced materials and pharmaceuticals. Recent research focuses on its application in the synthesis of polymers and as a key intermediate in drug development. Market trends indicate a growing demand, particularly in the pharmaceutical sector for new drug candidates and in the electronics industry for functional materials.

How should waste containing (2-phenylethynyl)benzene (CAS: 501-65-5) be handled?

Waste containing (2-phenylethynyl)benzene (CAS: 501-65-5) should be managed according to hazardous waste regulations. It is typically collected in dedicated containers and stored in a secure area, away from ignition sources. For disposal, it should be incinerated in an appropriate facility or through professional waste disposal services that comply with local regulations. Environmental protection measures include proper labeling of waste, minimizing the risk of spills, and ensuring compliance with EPA and local environmental protection agency guidelines.