Bromadiolone 3D Molecular Model — CAS 28772-56-7

Bromadiolone (C30H23BrO4, CAS 28772-56-7) — a free educational 3D molecular model for teachers and students, by MolGod.org. Each atom is labelled with its own engraved element symbol: no colour chart needed.

Turn the model in your hand to see the shape of Bromadiolone: five 6-membered rings, with one pair of rings fused along a shared edge, four of them aromatic, and 62 bonds in total (37 single, 2 double and 23 aromatic). A five-minute warm-up: read the symbol on every sphere and write down the totals (30 C + 23 H + 1 Br + 4 O = 58 atoms). Where on the model can students see the phenolic hydroxyl group (Ar-OH), the hydroxyl group (-OH) and the C-Br bond? Let them search before you reveal the answer. The record leaves the configuration of Bromadiolone open at two stereocentres, so students can sketch each possible arrangement on paper and compare. Plan it into a unit on aromaticity and delocalised electrons, on chirality, enantiomers and CIP (R/S) rules, on fused ring systems, on alcohols and hydrogen bonding, on phenols and hydrogen bonding, as well as on organohalogen compounds and carbon-halogen bonds.

This model is part of the free MolGod.org collection of engraved molecules for education. Teachers: use it as a hands-on starter before drawing the structural formula on the board.

Full record and more free models: https://molgod.org/molecule/28772-56-7/?utm_source=printables&utm_medium=referral&utm_campaign=edu-3d-models
Licence & provenance: https://molgod.org/licenses/stl/28772-56-7/
Same file on Wikimedia Commons: https://commons.wikimedia.org/wiki/File:Bromadiolone-3D-molecular-model-engraved-CAS-28772-56-7.stl

A ball-and-stick model of Bromadiolone with each element symbol recessed into its atom sphere, generated by MolGod.org from a PubChem-computed 3D conformer (not an experimental crystal structure); atomic coordinates and connectivity are unchanged. STL mesh: 799,148 triangles, closed (watertight) single solid. Coordinates in ångström (STL stores no unit) — scale the model deliberately in your slicer.

Names in other languages: Bromadiolon (de); 溴敌隆 (zh).

Chemical identity

• CAS Registry Number: 28772-56-7

• Molecular formula: C30H23BrO4

• Molar mass: 527.4 g/mol (exact mass 526.07797)

• IUPAC name: 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxychromen-2-one

• MolGod ID: MG_740-729-373-14 (https://molgod.org/id/MG_740-729-373-14)

• PubChem CID: 54680085 (https://pubchem.ncbi.nlm.nih.gov/compound/54680085)

• Wikidata: Q423091 (https://www.wikidata.org/wiki/Q423091)

• EC number: 249-205-9

• ChemSpider ID: 10606098

• InChIKey: OWNRRUFOJXFKCU-UHFFFAOYSA-N

• SMILES: C1=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

Required attribution (CC BY-SA 4.0): "Bromadiolone 3D model by MolGod.org — https://molgod.org/molecule/28772-56-7/ — CC BY-SA 4.0"
Licence text: https://creativecommons.org/licenses/by-sa/4.0/