Bromadiolone (CAS 28772-56-7)

Bromadiolone

CAS 28772-56-7  ·  C30H23BrO4  ·  MW 527.4 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 Bromadiolone, CAS 28772-56-7, molecular formula C30H23BrO4, molar mass 527.4 g/mol

Model views

  • Bromadiolone (CAS 28772-56-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Bromadiolone (CAS 28772-56-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Bromadiolone (CAS 28772-56-7) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Bromadiolone (CAS 28772-56-7) – 2D structure, MolGod Viewer
    2D structure

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About Bromadiolone (CAS 28772-56-7)

Bromadiolone (CAS 28772-56-7) is a chemical compound registered under number CAS 28772-56-7, with the molecular formula C30H23BrO4, and a molar mass of 527.4 g/mol.

The molecule contains 58 atoms connected by 62 chemical bonds. The full systematic IUPAC name of this compound is 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxychromen-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 = 6.1 (positive value, a lipophilic compound), polar surface area PSA = 66.8 Ų, 2 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC30H23BrO4
Molar mass527.4 g/mol
IUPAC3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxychromen-2-one
SMILESC1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O
InChIKeyOWNRRUFOJXFKCU-UHFFFAOYSA-N
logP (XLogP3)6.1
PSA66.8 Ų
HBD / HBA2 / 4
PubChem CIDCID 54680085 ↗
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

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

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

📈 Publication timeline (number of articles: 8)

1992: number of articles 119922005: number of articles 12006: number of articles 12010: number of articles 120102012: number of articles 12024: number of articles 22025: number of articles 12025

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
Bromadiolone · 28772-56-7 · Broprodifacoum · Bromatrol · Super-rozol · Contrac · Ratimus · Boldo · Temus · Sup'operats · Boot hill · Topidion · Bromore · Contrax · Eradic
Data sources
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Related molecules
This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23297396) · NIH 3D (3DPX-023732) · Wikimedia Commons
Included in datasets: Figshare (DOI 10.6084/m9.figshare.34439148) · OSF project index
Source structure: PubChem (CID 54680085)
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Bromadiolone (CAS 28772-56-7), C30H23BrO4 - 3D ball-and-stick molecular model, engraved element symbols (C H Br O), MolGod STL previewDownload image

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Bromadiolone (CAS 28772-56-7), C30H23BrO4 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Bromadiolone · 28772-56-7
InChIKey
OWNRRUFOJXFKCU-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Bromadiolone (CAS 28772-56-7)
License & provenance record
Bromadiolone (CAS 28772-56-7) →
MolGod molecule record
Bromadiolone →
Source data
PubChem CID 54680085 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
d2af79819865a1094ba8305259cdfe48bc0bf58cc78d1cfc280d97516acc59fe
MD5 (STL)
fbaa36ffc894b22229f9af1e47293d56
MolGod Identification Number
MG_740-729-373-14
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG

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

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