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NIH3D

1,2-Dichloroethane - engraved ball-and-stick model (CAS 107-06-2)

Created by
MolGod
Created:
10/11/26
Submitted:
10/11/26
Published:
10/11/26

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Learn more about NIH 3D workflow outputs

3DPX-023728

Licensing:

CC-BY-SA
62
3
Version 1

Category

Small Molecules
Small Molecules
Description

This entry presents 1,2-Dichloroethane (C2H4Cl2; CAS 107-06-2; PubChem CID 11) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, Cl), 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-001225, this model is engraved for colour-independent reading in the classroom.

Biological relevance: 1,2-Dichloroethane is recorded as an occupational carcinogen (source: Wikidata Q161480, retrieved 2026-10-10).

Structure at a glance

  • 8 atoms: 2 C, 4 H, 2 Cl

  • 7 bonds, all single

  • No rings (open-chain structure)

  • Functional groups: two C-Cl bonds

  • No hydrogen-bond donors or acceptors (computed)

  • Every carbon atom is sp3-hybridised (tetrahedral)

Use in teaching

  • Counting task: students tally the engraved symbols (2 C, 4 H, 2 Cl; 8 atoms) and rebuild the formula C2H4Cl2 from the model alone.

  • Functional groups: find the two C-Cl bonds on the model and name each one.

File and printing

STL mesh of 99,132 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: 3.499 × 3.947 × 3.203 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 35.0 × 39.5 × 32.0 mm. SHA-256: 2e36436dc463756f1e5d0ce3a964c50db6e16e05b845fe9871c89daa23540a46.

Validation

  • InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): WSLDOOZREJYCGB-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/107-06-2 · Licence and provenance record: molgod.org/licenses/stl/107-06-2 · Same file on Wikimedia Commons: File:1,2-Dichloroethane-3D-molecular-model-engraved-CAS-107-06-2.stl

  • MolGod ID: MG_105-569-074-10

  • Wikidata: Q161480

  • EC number: 203-458-1

  • ChemSpider ID: 13837650

  • IUPAC name: 1,2-dichloroethane

  • InChIKey: WSLDOOZREJYCGB-UHFFFAOYSA-N

  • SMILES: C(CCl)Cl

  • Molar mass 98.96 g/mol (exact mass 97.9690055)

Licence: CC BY-SA 4.0 (licence text). Required attribution: "1,2-Dichloroethane 3D model by MolGod.org — https://molgod.org/molecule/107-06-2/ — CC BY-SA 4.0".