Cas no 501-65-5 (Diphenylacetylene)

Diphenylacetylene (C14H10), also known as tolane, is a symmetrical aromatic alkyne characterized by its rigid linear structure. This compound is widely utilized as a building block in organic synthesis, particularly in cross-coupling reactions, cycloadditions, and the preparation of conjugated polymers or macrocyclic compounds. Its high thermal stability and ability to act as a ligand in transition metal catalysis make it valuable in materials science and coordination chemistry. Diphenylacetylene’s crystalline form and well-defined reactivity further enhance its utility in precision synthesis. The compound is often employed in research applications requiring robust, predictable reactivity under controlled conditions.
Diphenylacetylene structure
Diphenylacetylene structure
Product Name:Diphenylacetylene
CAS No:501-65-5
MF:C14H10
MW:178.229203701019
MDL:MFCD00004786
CID:37831
PubChem ID:10390
Update Time:2025-10-31

Diphenylacetylene Chemical and Physical Properties

Names and Identifiers

    • Diphenylacetylene
    • Tolan
    • Diphenyl acetylene (Tolan)
    • (phenylethynyl)benzene
    • 1,2-DIPHENYL ETHYNE
    • 1,1'-(1,2-Ethanediyl)bisbenzene
    • 1,1’-(1,2-ethynediyl)bis-benzen
    • 1,1’-(1,2-Ethynediyl)bisbenzene
    • 1,2-Diphenylacetylene
    • 2-phenylethynylbenzene
    • 1,1′-(1,2-Ethynediyl)bisbenzene
    • Diphenylethyne
    • 1,2-diphenylethyne
    • Tolane
    • diphenyl acetylene
    • Biphenylacetylene
    • Benzene, 1,1'-(1,2-ethynediyl)bis-
    • Ethyne, diphenyl-
    • 1,1'-ethyne-1,2-diyldibenzene
    • (2-phenylethynyl)benzene
    • Acetylene, diphenyl-
    • Y70JA8HB75
    • JRXXLCKWQFKACW-UHFFFAOYSA-N
    • Diphenylacetylene, 99%
    • Biphenyl acetylene
    • sym-Diphenylacetylene
    • CHEBI:51579
    • AC-18803
    • NS00032006
    • 25989-14-4
    • CS-W017313
    • Q902100
    • Benzene,1'-(1,2-ethynediyl)bis-
    • AS-56973
    • InChI=1/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10
    • Diphenylacetylene, 98%
    • 1-(2-phenyl-1-ethynyl)benzene
    • diphenyl-acetylene
    • MFCD00004786
    • DTXSID4060109
    • AKOS004901131
    • 501-65-5
    • (Phenylethynyl)benzene;1,1'-(1,2-Ethanediyl)bisbenzene;1,1?-(1,2-ethynediyl)bis-benzen;1,1?-(1,2-Ethynediyl)bisbenzene;1,2-Diphenylacetylene
    • (Phenylethynyl)benzene #
    • NSC5185
    • CHEMBL223309
    • BDBM50476289
    • AI3-04360
    • FT-0625223
    • NSC-5185
    • D0871
    • EN300-19945
    • YSWG033
    • J-650163
    • FD10621
    • NSC 5185
    • UNII-Y70JA8HB75
    • 1,1-(1,2-ETHYNEDIYL)BISBENZENE
    • EINECS 207-926-6
    • TOLAN [MI]
    • J-520382
    • SY012762
    • Diphenyacethylene
    • Acetylene, diphenyl (8CI)
    • Benzene, 1,1'(1,2ethynediyl)bis
    • DB-004031
    • DTXCID3040778
    • Ethyne, diphenyl
    • 1,2Diphenylacetylene
    • Acetylene, diphenyl
    • STL453635
    • FS70534
    • MDL: MFCD00004786
    • Inchi: 1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H
    • InChI Key: JRXXLCKWQFKACW-UHFFFAOYSA-N
    • SMILES: C1(C#CC2C=CC=CC=2)C=CC=CC=1
    • BRN: 606478

Computed Properties

  • Exact Mass: 178.07800
  • Monoisotopic Mass: 178.078
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.8
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Colorless solid
  • Density: 0.99?g/mL?at 25?°C(lit.)
  • Melting Point: 58.0 to 62.0 deg-C
  • Boiling Point: 170?°C/19?mmHg(lit.)
  • Flash Point: 170°C/19mm
  • Refractive Index: 1.6415 (estimate)
  • Water Partition Coefficient: Miscible with ether and hot alcohol. Immiscible with water.
  • Stability/Shelf Life: Stable. Combustible. Incompatible with strong oxidizing agents.
  • PSA: 0.00000
  • LogP: 3.08640
  • Merck: 9504
  • FEMA: 2889
  • Solubility: Soluble in ether, hot ethanol.

Diphenylacetylene Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: S24/25-S22
  • TSCA:Yes
  • Storage Condition:2-8°C
  • Safety Term:S22;S24/25

Diphenylacetylene Customs Data

  • HS CODE:2902909090
  • Customs Data:

    China Customs Code:

    2902909090

    Overview:

    2902909090. Other aromatic hydrocarbons. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:2.0%. general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902909090 other aromatic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

Diphenylacetylene Pricemore >>

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Diphenylacetylene Production Method

Diphenylacetylene Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:501-65-5)Diphenylacetylene
Order Number:A847452
Stock Status:in Stock
Quantity:500g/100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:15
Price ($):634.0/158.0
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:501-65-5)Diphenylacetylene
Order Number:sfd13674
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:501-65-5)二苯基乙炔
Order Number:LE2441574
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:37
Price ($):discuss personally

Additional information on Diphenylacetylene

Comprehensive Guide to Diphenylacetylene (CAS No. 501-65-5): Properties, Applications, and Industry Insights

Diphenylacetylene (CAS No. 501-65-5), also known as tolan or 1,2-diphenylethyne, is a highly versatile organic compound widely used in research and industrial applications. This symmetrical alkyne features two phenyl groups bonded to a triple-bonded carbon pair, making it a valuable building block in synthetic chemistry. Its unique molecular structure contributes to its stability and reactivity, enabling diverse transformations under controlled conditions.

The compound's thermal stability and photophysical properties have attracted significant attention in materials science. Researchers frequently investigate Diphenylacetylene derivatives for potential applications in organic electronics, including OLED materials and molecular wires. Recent studies explore its role in developing advanced polymers with tailored mechanical and optical characteristics, addressing growing demands in the sustainable materials sector.

In pharmaceutical research, CAS 501-65-5 serves as a crucial intermediate for synthesizing biologically active compounds. Its rigid structure facilitates the creation of molecular scaffolds for drug discovery, particularly in developing kinase inhibitors and anti-inflammatory agents. The compound's click chemistry compatibility makes it valuable for bioconjugation applications, supporting advancements in targeted drug delivery systems.

The synthesis of Diphenylacetylene typically involves Sonogashira coupling or elimination reactions from stilbene derivatives. Modern green chemistry approaches emphasize catalyst optimization and solvent reduction to improve sustainability. Analytical characterization employs NMR spectroscopy, mass spectrometry, and X-ray crystallography to verify purity and structure, meeting stringent quality control standards for research applications.

Industrial applications leverage Diphenylacetylene's properties in specialty chemicals production. Its incorporation into liquid crystal formulations enhances display technologies, while its use in coordination chemistry supports catalyst development for polymerization processes. The compound's UV absorption characteristics make it suitable for optical materials in various high-tech applications.

Emerging research explores Diphenylacetylene-based MOFs (Metal-Organic Frameworks) for gas storage and separation technologies. These porous materials demonstrate potential for carbon capture applications, aligning with global climate change mitigation efforts. Additionally, scientists investigate its supramolecular assemblies for developing molecular machines and nanoscale devices.

Safety considerations for handling 501-65-5 emphasize standard laboratory precautions. Proper personal protective equipment (PPE) including gloves and safety glasses is recommended. Storage typically occurs in airtight containers under inert atmosphere to prevent degradation, with attention to moisture control and temperature regulation for long-term stability.

The commercial availability of Diphenylacetylene meets various purity grades, from technical grade (90-95%) to HPLC grade (≥99%). Suppliers provide detailed certificates of analysis including melting point (62-64°C) and spectroscopic data. Current market trends show growing demand from Asia-Pacific research institutions and specialty chemical manufacturers expanding their high-value product portfolios.

Environmental considerations for Diphenylacetylene focus on waste minimization strategies. Researchers develop catalytic recycling methods and degradation protocols to reduce ecological impact. The compound's low water solubility and moderate volatility require specific containment measures during industrial processes, with increasing adoption of closed-system technologies.

Future perspectives highlight Diphenylacetylene's role in materials innovation. Ongoing studies investigate its electrochemical properties for energy storage applications and photocatalytic systems. The compound's versatility ensures continued relevance across multidisciplinary research areas, from nanotechnology to medicinal chemistry, driving scientific progress in the 21st century.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:501-65-5)Diphenylacetylene
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Purity:99%/99%
Quantity:500g/100g
Price ($):634.0/158.0
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Suzhou Senfeida Chemical Co., Ltd
(CAS:501-65-5)Diphenylacetylene
sfd13674
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email