4-Ethynylbenzonitrile

CAS 3032-92-6  ·  C9H5N  ·  MW 127.14 g/mol

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3D model 4-Ethynylbenzonitrile, CAS 3032-92-6, molecular formula C9H5N, molar mass 127.14 g/mol
About 4-Ethynylbenzonitrile

4-Ethynylbenzonitrile is a chemical compound registered under number CAS 3032-92-6, with the molecular formula C9H5N, and a molar mass of 127.14 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is 4-ethynylbenzonitrile. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.9 (positive value, a lipophilic compound), polar surface area PSA = 23.8 Ų, 0 donors and 1 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC9H5N
Masa molowa127.14 g/mol
IUPAC4-ethynylbenzonitrile
SMILESC#CC1=CC=C(C=C1)C#N
InChIKeyLAGNMUUUMQJXBF-UHFFFAOYSA-N
logP (XLogP3)1.9
PSA23.8 Ų
HBD / HBA0 / 1
PubChem CIDCID 4547245 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

15 articles · 10 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (15 articles)

1992: 5 articles19922007: 1 articles2023: 1 articles20232024: 4 articles2025: 4 articles2025

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
4-Ethynylbenzonitrile (CAS 3032-92-6), C9H5N - 3D ball-and-stick molecular model, engraved element symbols (C H N), MolGod STL previewPobierz obraz

MG-STL-3032-92-6-GRAVERED · 214,414 △ · 10 MB · SHA-256 4a8be3c570082987

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4-Ethynylbenzonitrile (CAS 3032-92-6), C9H5N - 3D ball-and-stick molecular model, MolGod STL previewPobierz obraz

MG-STL-3032-92-6-NORMAL · 6,240 △ · 305 KB · SHA-256 25ff59df05f7d441

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Model
4-Ethynylbenzonitrile · 3032-92-6
InChIKey
LAGNMUUUMQJXBF-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 4-Ethynylbenzonitrile (CAS 3032-92-6)
License & provenance record
4-Ethynylbenzonitrile (CAS 3032-92-6) →
MolGod molecule record
4-Ethynylbenzonitrile →
Source data
PubChem CID 4547245 ↗
Model information
STL generated by MolGod · MolGod STL Exporter @ 8b6dfdd · generated 2026-09-25
SHA-256 (STL)
25ff59df05f7d441a14ef48f632988bc8340bddcc32b2c7bf585103e62addc9b
MD5 (STL)
1683bb3e3e7bbef254b4d336f2eff3c3
Model identifier
MG-STL-3032-92-6
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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