Description

Ethynylbenzene (CAS No. 536-74-3), also known as Phenylacetylene, is a highly versatile aromatic alkyne with the molecular formula C₈H₆. This clear to pale yellow liquid is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive ethynyl group. With a boiling point of approximately 142-144°C and a density of 0.93 g/mL at 25°C, Ethynylbenzene is an essential building block for coupling reactions, polymerization, and the production of fine chemicals. Its stability and compatibility with various catalysts make it ideal for Sonogashira, Heck, and other cross-coupling reactions. Packaged under inert gas to ensure purity and longevity, our Ethynylbenzene is rigorously tested to meet the highest industry standards (≥98% purity). Suitable for laboratory and industrial-scale applications, this compound is available in multiple packaging options to suit your research needs.

Properties

• CAS Number: 536-74-3
• Complexity: 98.5
• IUPAC Name: ethynylbenzene
• InChI: InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
• InChI Key: UEXCJVNBTNXOEH-UHFFFAOYSA-N
• Exact Mass: 102.0469501914
• Molecular Formula: C8H6
• Molecular Weight: 102.13
• SMILES: C#CC1=CC=CC=C1
• Monoisotopic Mass: 102.0469501914
• Physical Description: Liquid;
• Vapor Pressure: 2.06 [mmHg]
• Synonyms: Ethynylbenzene, PHENYLACETYLENE, 536-74-3, Phenylethyne, Benzene, ethynyl-, 1-Phenylethyne, Phenylacetylide, Ethyne, phenyl-, Acetylene, phenyl-, Phenylacethylene, 1-ethynylbenzene, phenyl-acetylene, NSC 4957, EINECS 208-645-1, 239WSR2IBO, AI3-24180, NSC-4957, ETHYNYLBENZENE [MI], DTXSID1060211, ETHYNYL-BENZENE (PHENYLACETYLENE), 1Phenylethyne, Ethyne, phenyl, benzene, ethynyl, Acetylene, phenyl, DTXCID1041477, 208-645-1, inchi=1/c8h6/c1-2-8-6-4-3-5-7-8/h1,3-7, ethynyl-benzene, phenyl acetylene, 126716-66-3, ethynyl benzene, ETHYNYL-D-BENZENE, C8H6, UNII-239WSR2IBO, ethynylbenzen, phenylacetylen, Ethinylbenzene, 1-phenylacetylene, 1-ethynyl-benzene, MFCD00008570, Phenylacetylene, 98%, Ph-C=CH, Phenylacetylene, ~98%, SCHEMBL4884, WLN: 1UU1R, SCHEMBL19754, SCHEMBL185154, SCHEMBL208286, SCHEMBL209013, SCHEMBL209362, SCHEMBL361135, CHEMBL234833, SCHEMBL1756357, SCHEMBL4297769, SCHEMBL7131415, NSC4957, CHEBI:167069, SBB040919, AKOS000269051, AS-12473, Phenylacetylene, purum, >=97.0% (GC), E0196, NS00020424, ST50214525, EN300-19670, D90456, A829727, Q417321, F0001-1393, Ethynyl Phenyl Ether; Phenoxyacetylene; Phenyl Ethynyl Ether;, 120851-94-7

Application

Ethynylbenzene is a critical reagent in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and advanced materials. It serves as a key intermediate in Sonogashira coupling reactions to form carbon-carbon bonds in complex molecules. Researchers also employ it in polymer chemistry to create conductive polymers and specialty resins. Additionally, its use in metal-organic frameworks (MOFs) and ligand synthesis highlights its importance in catalysis and material science.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H304 (87.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
• H315 (94.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (18.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Asp. Tox. 1 (87.5%)
• Skin Irrit. 2 (94.6%)
• Eye Irrit. 2A (97.3%)
• STOT SE 3 (18.3%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.