What is 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5)?

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5) is a chemical compound registered under CAS number 17129-06-5. Molecular formula: C6H7F3O2. Molar mass: 168.11 g/mol. IUPAC: 4-ethoxy-1,1,1-trifluorobut-3-en-2-one.

What is the CAS number of 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5)?

The CAS number of 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5) is 17129-06-5 — a unique Chemical Abstracts Service (CAS) identifier.

What is the molecular formula of 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5)?

Molecular formula: C6H7F3O2. Molar mass: 168.11 g/mol. logP (XLogP3): 1.6. PSA: 26.3 Å².

What are the GHS hazards of 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5)?

Under the GHS classification, 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5) must be labelled with the following hazard statements: H226 (Flammable liquid and vapour).

Where can I buy 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5)?

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5) is available in our shop. View the product: https://molgod.org/sds-cards/4-ethoxy-111-trifluoro-3-buten-2-one-cas-17129-06-5/

Where does the chemical data for 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5) come from?

Chemical data for 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5) comes from authoritative sources: PubChem (NIH). PubChem CID: 2780395. Compliant with the CLP Regulation (EC 1272/2008), available under the CC-BY 4.0 licence.

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5)

Name: 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5) (CAS 17129-06-5) — complete chemical dataset
Creator: MolGod
License: https://creativecommons.org/licenses/by/4.0/

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

CAS 17129-06-5 · C₆H₇F₃O₂ · MW 168.11 g/mol

About 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5)

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5) is a chemical compound registered under number CAS 17129-06-5, with the molecular formula C₆H₇F₃O₂, and a molar mass of 168.11 g/mol.

The molecule contains 18 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 4-ethoxy-1,1,1-trifluorobut-3-en-2-one. 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 = 1.6 (positive value, a lipophilic compound), polar surface area PSA = 26.3 Å², 0 donors and 5 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

Wzór sumaryczny	C₆H₇F₃O₂
Masa molowa	168.11 g/mol
IUPAC	4-ethoxy-1,1,1-trifluorobut-3-en-2-one
SMILES	`CCOC=CC(=O)C(F)(F)F`
InChIKey	`YKYIFUROKBDHCY-UHFFFAOYSA-N`
logP (XLogP3)	1.6
PSA	26.3 Å²
HBD / HBA	0 / 5
PubChem CID	CID 2780395 ↗

GHS safety

Sygnał: Niebezpieczeństwo

GHS02

H226 — Łatwopalna ciecz i pary

Scientific literature

Related literature

16 artykułów · 2 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

📈 Timeline publikacji (16 artykułów)

Wysokość słupka = liczba artykułów w roku. Hover dla szczegółów.

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (ETFBO), a Versatile Precursor for Trifluoromethyl-Substituted Heteroarenes – a Short Synthesis of Celebrex® (Celecoxib)

Andreas Kirschning, Heiko Sommer, Max Braun et al. (2017) · Synlett

Cytowania: 10$ PaywallDOI ↗

Study on the 1,3-dipolar cycloaddition reaction of 4-ethoxy-1,1,1-trifluoro-3-buten-2-one with nitrile oxides

Huiling Jiang, Weimin Yue, Huihong Xiao et al. (2007) · Tetrahedron

Cytowania: 13$ PaywallDOI ↗

The interaction of 4-ethoxy-1,1,1-trifluoro-3-buten-2-one with C-nucleophiles — organo-magnesium and -zinc compounds

M.G. Gorbunova, I.I. Gerus, V.P. Kukhar (1993) · Journal of Fluorine Chemistry

Cytowania: 42$ PaywallDOI ↗

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one as a New Protecting Reagent in Peptide Synthesis

M. G. Gorbunova, I. I. Gerus, S. V. Galushko et al. (1991) · Synthesis

Cytowania: 26$ PaywallDOI ↗

The interaction of 4-ethoxy-1,1,1-trifluoro-3-buten-2-one with triethyl phosphite

I.I. Gerus, M.G. Gorbunova, V.P. Kukhar et al. (1998) · Journal of Fluorine Chemistry

Cytowania: 12$ PaywallDOI ↗

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Study on the Reactions of 3‐Bromo‐4‐ethoxy‐1,1,1‐trifluoro‐ 3‐buten‐2‐one with Benzenethiols Promoted by InCl3·4H2O

Jingwei Zhao, Tao Song, Huiling Jiang et al. (2010) · Chinese Journal of Chemistry

Cytowania: 4Open AccessDOI ↗PDF ↗

Reactions of 4-ethoxy-l,l,l-trifluoro-3-buten-2-one with phosphorous nucleophiles: Diethyl phosphite, tributyl phosphine and tris(diethylamino) phosphine

Shizheng Zhu, Huiling Jiang, Guifang Jin (2005) · Journal of Fluorine Chemistry

Cytowania: 19$ PaywallDOI ↗

Condensation of methylhydrazine with 4‐ethoxy‐1,1,1‐trifluoro‐3‐buten‐2‐one. A reinvestigation

James W. Pavlik, Theppawut Israsena Na Ayudhya, Supawan Tantayanon (2002) · Journal of Heterocyclic Chemistry

Cytowania: 11$ PaywallDOI ↗

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Évaluation d'additifs organiques dans des électrolytes liquides appliqués aux cathodes

Zaynab Khodr (2020) · Knowledge UdeS (Institutional Deposit of the University of Sherbrooke)

Open AccessPDF ↗

3-Buten-2-one, 4-Ethoxy-1,1,1-trifluoro-

Benjamin D. Sherry (2016) · Encyclopedia of Reagents for Organic Synthesis

$ PaywallDOI ↗

1,3‐Dipolar Cycloaddition Reaction of 4‐Ethoxy‐1,1,1‐trifluoro‐3‐buten‐2‐one with Nitrile Oxides.

Huiling Jiang, Weimin Yue, Huihong Xiao et al. (2007) · ChemInform

$ PaywallDOI ↗

Condensation of Methylhydrazine with 4‐Ethoxy‐1,1,1‐trifluoro‐3‐buten‐2‐one. A Reinvestigation.

James W. Pavlik, Theppawut Israsena Na Ayudhya, Supawan Tantayanon (2003) · ChemInform

$ PaywallDOI ↗

ChemInform Abstract: The Interaction of 4‐Ethoxy‐1,1,1‐trifluoro‐3‐buten‐2‐one with Triethyl Phosphite.

I. I. GERUS, M. G. GORBUNOVA, V. P. KUKHAR et al. (1998) · ChemInform

$ PaywallDOI ↗

ChemInform Abstract: The Interaction of 4‐Ethoxy‐1,1,1‐trifluoro‐3‐buten‐2‐one with C‐ Nucleophiles ‐ Organo‐Magnesium and ‐Zinc Compounds.

M. G. GORBUNOVA, I. I. GERUS, V. P. KUKHAR (1994) · ChemInform

$ PaywallDOI ↗

ChemInform Abstract: 4‐Ethoxy‐1,1,1‐trifluoro‐3‐buten‐2‐one as a New Protecting Reagent in Peptide Synthesis.

M. G. GORBUNOVA, I. I. GERUS, S. V. GALUSHKO et al. (1991) · ChemInform

$ PaywallDOI ↗

ChemInform Abstract: Reactions of 3‐Bromo‐4‐ethoxy‐1,1,1‐trifluoro‐3‐buten‐one with Benzenethiols Promoted by InCl3·4H2O.

Jingwei Zhao, Tao Song, Huiling Jiang et al. (2010) · ChemInform

$ PaywallDOI ↗

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

Synonyms

17129-06-5 · 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one · RefChem:522575 · DTXCID301073271 · 629-004-6 · 4-ethoxy-1,1,1-trifluorobut-3-en-2-one · 3-BUTEN-2-ONE, 4-ETHOXY-1,1,1-TRIFLUORO- · MFCD00192131 · 4-ethoxy-1,1,1-trifluoro-but-3-en-2-one · (3Z)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one · SCHEMBL22026 · 4-Ethoxy-1,1,1-Trifluoro-3-Buten-2-One, Stab. · 4-ethoxy-trifluoro-but-3-en-2-one · AB04641 · SB11842

Data sources

📊 PubChem CID 2780395 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność

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