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NIH3D

Benzene - engraved ball-and-stick model (CAS 71-43-2)

Created by
MolGod
Created:
10/10/26
Submitted:
10/10/26
Published:
10/10/26

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Learn more about NIH 3D workflow outputs

3DPX-023722

Licensing:

CC-BY-SA
5
1
Version 1

Category

Small Molecules
Small Molecules
Description

This entry presents Benzene (C6H6; CAS 71-43-2; PubChem CID 241) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged.

Unlike 3DPX-003334, this model is engraved for colour-independent reading in the classroom.

Biological relevance: Benzene is recorded both as a carcinogen and as an occupational carcinogen, as well as a male reproductive and developmental toxicant (source: Wikidata Q2270, retrieved 2026-10-10).

Structure at a glance

  • 12 atoms: 6 C, 6 H

  • 12 bonds: 6 single, 6 aromatic

  • One aromatic 6-membered ring

  • No hydrogen-bond donors or acceptors (computed)

  • No carbon atom is sp3-hybridised

Use in teaching

  • Counting task: students tally the engraved symbols (6 C, 6 H; 12 atoms) and rebuild the formula C6H6 from the model alone.

  • Aromaticity: identify the aromatic ring and the 6 bonds recorded as aromatic.

File and printing

STL mesh of 157,530 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 4.151 × 4.381 × 4.945 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 41.5 × 43.8 × 49.5 mm. SHA-256: fce817164a2d6d50bea63e4f5ffde46b9e4211ed363517fc327fac7bbde897bf.

Validation

  • InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): UHOVQNZJYSORNB-UHFFFAOYSA-N

  • Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem

  • Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file

Source, licence and identifiers

Full record: molgod.org/molecule/71-43-2 · Licence and provenance record: molgod.org/licenses/stl/71-43-2 · Same file on Wikimedia Commons: File:Benzene-3D-molecular-model-engraved-CAS-71-43-2.stl

  • MolGod ID: MG_386-938-392-24

  • Wikidata: Q2270

  • EC number: 200-753-7

  • ChemSpider ID: 236

  • IUPAC name: benzene

  • InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N

  • SMILES: c1ccccc1

  • Molar mass 78.11 g/mol (exact mass 78.0469501914)

Licence: CC BY-SA 4.0 (licence text). Required attribution: "Benzene 3D model by MolGod.org — https://molgod.org/molecule/71-43-2/ — CC BY-SA 4.0".