Chlorophacinone (CAS 3691-35-8)

Chlorophacinone

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

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Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
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3D model Chlorophacinone, CAS 3691-35-8, molecular formula C23H15ClO3, molar mass 374.8 g/mol

Model views

  • Chlorophacinone (CAS 3691-35-8) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Chlorophacinone (CAS 3691-35-8) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Chlorophacinone (CAS 3691-35-8) – 2D structure, MolGod Viewer
    2D structure

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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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC23H15ClO3
Molar mass374.8 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 — May damage the unborn child

H330 — Fatal if inhaled

H310 — Fatal in contact with skin

H300 — Fatal if swallowed

H372 — Causes damage to organs through prolonged or repeated exposure

H400 — Very toxic to aquatic life

H410 — Very toxic to aquatic life with long lasting effects

Scientific literature

Related literature

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

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 14)

1988: number of articles 219882004: number of articles 12007: number of articles 12008: number of articles 12009: number of articles 12012: number of articles 12013: number of articles 120132015: number of articles 12016: number of articles 22018: number of articles 12020: number of articles 12022: number of articles 12022

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
CHLOROPHACINONE · 3691-35-8 · Liphadione · Chlorphacinon · Redentin · Rozol · Muriol · Partox · Afnor · CAID · DRAT · Ratindan 3 · Chlorfacinon · Chlorphacinone · Chlorphenacone
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Chlorophacinone · 3691-35-8
InChIKey
UDHXJZHVNHGCEC-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Chlorophacinone (CAS 3691-35-8)
License & provenance record
Chlorophacinone (CAS 3691-35-8) →
MolGod molecule record
Chlorophacinone →
Source data
PubChem CID 19402 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
82897e13337b6281ce23e9125cc647bfc7b9b99b619173d71fe8da7d76322608
MD5 (STL)
9da2bbc79e420785f45a9a571b9c9ef9
MolGod Identification Number
MG_940-128-408-66
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
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This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23297323) · NIH 3D (3DPX-023736) · Wikimedia Commons
Included in datasets: Figshare (DOI 10.6084/m9.figshare.34439148) · Hugging Face · OSF project index
Source structure: PubChem (CID 19402)
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