Description

1-Ethynyl-4-methoxybenzene (CAS No. 768-60-5) is a high-purity organic compound with the molecular formula C₉H₈O. This aromatic alkyne features a methoxy group at the para position, making it a versatile intermediate for synthetic organic chemistry and material science applications. With a molecular weight of 132.16 g/mol, it is supplied as a clear to pale-yellow liquid or solid, depending on storage conditions. Ideal for researchers and scientists, our product undergoes rigorous quality control to ensure ≥98% purity (GC), validated by HPLC and NMR spectroscopy. Suitable for use in cross-coupling reactions, polymerization, and as a building block for advanced materials. Store in a cool, dry place under inert atmosphere to maintain stability.

Properties

• CAS Number: 768-60-5
• Complexity: 134
• IUPAC Name: 1-ethynyl-4-methoxy-benzene
• InChI: InChI=1S/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H3
• InChI Key: KBIAVTUACPKPFJ-UHFFFAOYSA-N
• Exact Mass: 132.057514874
• Molecular Formula: C9H8O
• Molecular Weight: 132.16
• SMILES: COC1=CC=C(C=C1)C#C
• Topological: 9.2
• Monoisotopic Mass: 132.057514874
• Synonyms: 768-60-5, 1-Ethynyl-4-methoxybenzene, Benzene, 1-ethynyl-4-methoxy-, 640-179-8, inchi=1/c9h8o/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7h,2h, 4-Ethynylanisole, 4-Methoxyphenylacetylene, 1-ethynyl-4-methoxy-benzene, 4′-Methoxyphenyl acetylene, 4-ethynyl anisole, MFCD00168815, p-methoxyphenylacetylene, 4-ethynyl-1-methoxybenzene, 1-eth-1-ynyl-4-methoxybenzene, 4-methoxyphenyl acetylene, p-ethynylanisole, 4-ethynyl-anisole, NSC71091, p-Methoxyphenylethyne, 4-methoxyphenylethyne, 4-methoxy-phenylacetylene, 4-Ethynylanisole, 97%, 4′-methoxy phenylacetylene, 4-methoxy-phenyl-acetylene, 1-methoxy-4-ethynylbenzene, 4-methoxy-1-ethynyl benzene, 1-(4-methoxyphenyl)acetylene, 4-CH3O-C6H4-CCH, SCHEMBL187127, SCHEMBL852750, 1-Ethynyl-4-methoxybenzene #, CHEMBL232552, SCHEMBL15352838, DTXSID20290800, CHEBI:194788, BBL104009, NSC 71091, NSC-71091, SBB063612, STL557821, AKOS005146078, CS-W004104, FM25339, HY-W004104, PS-4187, AC-19401, BP-12812, SY013463, DB-012609, E0603, EN300-83248, F0001-1960, Z1080385508, 1-Ethynyl-4-methoxybenzene;p-Methoxyphenylethyne;p-Ethynylanisole

Application

1-Ethynyl-4-methoxybenzene is widely used as a key intermediate in organic synthesis, particularly in Sonogashira coupling reactions to construct conjugated systems. It serves as a precursor for functionalized polymers and liquid crystals due to its ethynyl and methoxy reactivity. Researchers also employ it in pharmaceutical and agrochemical development for introducing aromatic alkyne motifs.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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