Chlorophacinone (CAS 3691-35-8)

Chlorophacinone

CAS 3691-35-8  ·  C23H15ClO3  ·  MW 374.8 g/mol

Loading molecule...
3D model Chlorophacinone, CAS 3691-35-8, molecular formula C23H15ClO3, molar mass 374.8 g/mol
About Chlorophacinone (CAS 3691-35-8)

Chlorophacinone (CAS 3691-35-8) is a chemical compound registered under number CAS 3691-35-8, with the molecular formula C23H15ClO3, and a molar mass of 374.8 g/mol.

The molecule contains 42 atoms connected by 45 chemical bonds. The full systematic IUPAC name of this compound is 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione. 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 = 4.3 (positive value, a lipophilic compound), polar surface area PSA = 51.2 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 formulaC23H15ClO3
Masa molowa374.8 g/mol
IUPAC2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
SMILESC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O
InChIKeyUDHXJZHVNHGCEC-UHFFFAOYSA-N
logP (XLogP3)4.3
PSA51.2 Ų
HBD / HBA0 / 3
PubChem CIDCID 19402 ↗
GHS safety

Signal word: Danger

GHS06
GHS06
GHS08
GHS08
GHS09
GHS09

? — H360D

H330 — Wdychanie grozi śmiercią

H310 — Grozi śmiercią w kontakcie ze skórą

H300 — Połknięcie grozi śmiercią

H372 — Powoduje uszkodzenie narządów poprzez długotrwałe lub powtarzane narażenie

H400 — Działa bardzo toksycznie na organizmy wodne

H410 — Działa bardzo toksycznie na organizmy wodne, powodując długotrwałe skutki

Scientific literature

Related literature

14 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (14 articles)

1988: 2 articles19882004: 1 articles2007: 1 articles2008: 1 articles2009: 1 articles2012: 1 articles2013: 1 articles20132015: 1 articles2016: 2 articles2018: 1 articles2020: 1 articles2022: 1 articles2022

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
CHLOROPHACINONE · 3691-35-8 · Liphadione · Chlorphacinon · Redentin · Rozol · Muriol · Partox · Afnor · CAID · DRAT · Ratindan 3 · Chlorfacinon · Chlorphacinone · Chlorphenacone
Data sources
Buy in the shop
Related molecules
—
License & Provenance

MolGod 3D molecular model
Chlorophacinone — CAS 3691-35-8

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

MolGod License & Provenance Record:
Chlorophacinone (CAS 3691-35-8) — License & Provenance

Source:
Chlorophacinone (CAS 3691-35-8) — MolGod molecule record

Source data: PubChem CID 19402

STL: Download 3D model (867 KB)

SHA-256: d681bd72464f7966d4378525d40dd0b6043280a5963f77f4fdc91764041cdea9

Wikimedia Commons: not published yet

Source data: PubChem CID 19402

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