4'-Chloro-3'-nitroacetophenone

CAS 5465-65-6  ·  C8H6ClNO3  ·  MW 199.59 g/mol

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3D model 4'-Chloro-3'-nitroacetophenone, CAS 5465-65-6, molecular formula C8H6ClNO3, molar mass 199.59 g/mol
About 4'-Chloro-3'-nitroacetophenone

4'-Chloro-3'-nitroacetophenone is a chemical compound registered under number CAS 5465-65-6, with the molecular formula C8H6ClNO3, and a molar mass of 199.59 g/mol.

The molecule contains 19 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is 1-(4-chloro-3-nitrophenyl)ethanone. 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 (positive value, a lipophilic compound), polar surface area PSA = 62.9 Ų, 0 donors and 3 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 formulaC8H6ClNO3
Masa molowa199.59 g/mol
IUPAC1-(4-chloro-3-nitrophenyl)ethanone
SMILESCC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChIKeyYEVPHFIFGUWSMG-UHFFFAOYSA-N
logP (XLogP3)2
PSA62.9 Ų
HBD / HBA0 / 3
PubChem CIDCID 79596 ↗
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 · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

1998: 1 articles19982000: 1 articles2006: 1 articles2009: 1 articles2015: 2 articles2016: 1 articles2017: 1 articles20172018: 1 articles2019: 2 articles2020: 2 articles2021: 1 articles2024: 1 articles2024

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
4'-Chloro-3'-nitroacetophenone · 1-(4-Chloro-3-nitrophenyl)ethanone · 4-Chloro-3-nitroacetophenone · Ethanone, 1-(4-chloro-3-nitrophenyl)- · Acetophenone, 4'-chloro-3'-nitro- · UNII-GKV85F2ZXL · GKV85F2ZXL · EINECS 226-769-4 · 2-chloro-5-acetylnitrobenzene · 1-acetyl-4-chloro-3-nitrobenzene · NSC-25820 · 3'-NITRO-4'-CHLOROACETOPHENONE · YEVPHFIFGUWSMG-UHFFFAOYSA- · NSC 25820 · 4-ACETYL-1-CHLORO-2-NITROBENZENE
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
4'-Chloro-3'-nitroacetophenone — CAS 5465-65-6

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

MolGod License & Provenance Record:
4'-Chloro-3'-nitroacetophenone (CAS 5465-65-6) — License & Provenance

Source:
4'-Chloro-3'-nitroacetophenone (CAS 5465-65-6) — MolGod molecule record

Source data: PubChem CID 79596

STL: Download 3D model (386 KB)

SHA-256: 60b09494bc6afeca8f95a39af82a4e9417135c187890fb70672a20ee69bf305e

Wikimedia Commons: not published yet

Source data: PubChem CID 79596

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