Benzoic acid, 2,4-difluoro-, ethyl ester

CAS 108928-00-3  ·  C9H8F2O2  ·  MW 186.15 g/mol

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3D model Benzoic acid, 2,4-difluoro-, ethyl ester, CAS 108928-00-3, molecular formula C9H8F2O2, molar mass 186.15 g/mol
About Benzoic acid, 2,4-difluoro-, ethyl ester

Benzoic acid, 2,4-difluoro-, ethyl ester is a chemical compound registered under number CAS 108928-00-3, with the molecular formula C9H8F2O2, and a molar mass of 186.15 g/mol.

The molecule contains 21 atoms connected by 21 chemical bonds. The full systematic IUPAC name of this compound is ethyl 2,4-difluorobenzoate. 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 = 2.3 (positive value, a lipophilic compound), polar surface area PSA = 26.3 Ų, 0 donors and 4 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 formulaC9H8F2O2
Masa molowa186.15 g/mol
IUPACethyl 2,4-difluorobenzoate
SMILESCCOC(=O)C1=C(C=C(C=C1)F)F
InChIKeyOPQFYGPAOVCNEQ-UHFFFAOYSA-N
logP (XLogP3)2.3
PSA26.3 Ų
HBD / HBA0 / 4
PubChem CIDCID 2737170 ↗
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 · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

2020: 3 articles20202021: 2 articles2022: 2 articles2023: 2 articles20232024: 1 articles2025: 2 articles2026: 1 articles2026

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.

Synonyms
ethyl 2,4-difluorobenzoate · 108928-00-3 · Benzoic acid, 2,4-difluoro-, ethyl ester · RefChem:118296 · DTXCID10322922 · 600-886-4 · 2,4-Difluorobenzoic Acid Ethyl Ester · MFCD00153149 · ETHYL2,4-DIFLUOROBENZOATE · 2,4-difluoro-benzoic acid ethyl ester · ethyl-2,4-difluorobenzoate · ethyl 2,4-di-fluorobenzoate · SCHEMBL367075 · SBB064610 · AKOS008948324
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Benzoic acid, 2,4-difluoro-, ethyl ester — CAS 108928-00-3

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Benzoic acid, 2,4-difluoro-, ethyl ester (CAS 108928-00-3) — License & Provenance

Source:
Benzoic acid, 2,4-difluoro-, ethyl ester (CAS 108928-00-3) — MolGod molecule record

Source data: PubChem CID 2737170

STL: Download 3D model (427 KB)

SHA-256: 15982e32e380d132221cd90252a784b355f97b3a89ff8f4b997387cf9dfb305b

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Source data: PubChem CID 2737170

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