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Atomfair Methyl 4-ethynylbenzoate C10H8O2 CAS 3034-86-4

Methyl 4-ethynylbenzoate (CAS No. 3034-86-4) is a high-purity aromatic ester compound with the molecular formula C10H8O2. This specialty chemical features an ethynyl group attached to the para position of a benzoate ester, making it a valuable building block in organic synthesis and materials science. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied as a white to off-white crystalline solid. Ideal for research applications, it is packaged under inert gas to ensure stability and longevity. Suitable for use in Suzuki coupling, click chemistry, and polymer synthesis due to its reactive alkyne functionality. Store in a cool,…

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Description

Methyl 4-ethynylbenzoate (CAS No. 3034-86-4) is a high-purity aromatic ester compound with the molecular formula C10H8O2. This specialty chemical features an ethynyl group attached to the para position of a benzoate ester, making it a valuable building block in organic synthesis and materials science. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied as a white to off-white crystalline solid. Ideal for research applications, it is packaged under inert gas to ensure stability and longevity. Suitable for use in Suzuki coupling, click chemistry, and polymer synthesis due to its reactive alkyne functionality. Store in a cool, dry place away from light and oxidizing agents.

Properties

  • CAS Number: 3034-86-4
  • Complexity: 203
  • IUPAC Name: methyl 4-ethynylbenzoate
  • InChI: InChI=1S/C10H8O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h1,4-7H,2H3
  • InChI Key: JPGRSTBIEYGVNO-UHFFFAOYSA-N
  • Exact Mass: 160.052429494
  • Molecular Formula: C10H8O2
  • Molecular Weight: 160.17
  • SMILES: COC(=O)C1=CC=C(C=C1)C#C
  • Topological: 26.3
  • Monoisotopic Mass: 160.052429494
  • Synonyms: methyl 4-ethynylbenzoate, 3034-86-4, benzoic acid, 4-ethynyl-, methyl ester, DTXSID30348700, DTXCID20299772, 663-258-9, inchi=1/c10h8o2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h1,4-7h,2h, 4-Ethynylbenzoic acid methyl ester, 4-ETHYNYL-BENZOIC ACID METHYL ESTER, MFCD00168820, methyl4-ethynylbenzoate, Methyl 4-ethynyl-benzoate, YSWG063, SCHEMBL255356, SCHEMBL28677170, WLZ3455, 4-ethinylbenzoic acid methyl ester, Methyl 4-ethynylbenzoate, >=90%, 4-ethynyl benzoic acid methyl ester, BCP07485, BBL100840, STL554634, 1-(methoxycarbonyl)-4-ethynylbenzene, Benzoic acid,4-ethynyl-,methyl ester, AKOS005255442, AB04259, CS-W007435, AS-18277, SY010689, DB-068275, DB-370903, M2768, EN300-176976, Z1198151571, 4-(Methoxycarbonyl)phenylacetylene;methyl p-ethynylbenzoate

Application

Methyl 4-ethynylbenzoate is widely used as a key intermediate in pharmaceutical research and polymer chemistry. Its ethynyl group enables efficient participation in Huisgen cycloaddition (click chemistry) for bioconjugation and dendrimer synthesis. Researchers utilize it to modify aromatic systems in liquid crystal and conductive polymer development. The compound also serves as a precursor for advanced organic frameworks (MOFs/COFs) due to its rigid benzoate backbone.

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. 2 (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.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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