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NIH3D

Epichlorohydrin - engraved ball-and-stick model (CAS 106-89-8)

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

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3DPX-023733

Licensing:

CC-BY-SA
54
6
Version 1

Category

Small Molecules
Small Molecules
Description

This entry presents Epichlorohydrin (C3H5ClO; CAS 106-89-8; PubChem CID 7835) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, Cl, O), 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.

Structure at a glance

  • 10 atoms: 3 C, 5 H, 1 Cl, 1 O

  • 10 bonds, all single

  • One 3-membered ring

  • Functional groups: one epoxide ring (three-membered C-O-C ring) and one C-Cl bond

  • One stereocentre; configuration not defined in the source record (no R/S label) — IUPAC name 2-(chloromethyl)oxirane

  • No hydrogen-bond donors and one acceptor (computed)

  • Every carbon atom is sp3-hybridised (tetrahedral)

Use in teaching

  • Counting task: students tally the engraved symbols (3 C, 5 H, 1 Cl, 1 O; 10 atoms) and rebuild the formula C3H5ClO from the model alone.

  • Stereochemistry: locate the stereocentre; the source record defines no configuration, so the printed conformer should not be read as a specific stereoisomer.

  • Functional groups: find the epoxide ring (three-membered C-O-C ring) and the C-Cl bond on the model and name each one.

File and printing

STL mesh of 121,712 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: 4.128 × 4.365 × 3.004 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 41.3 × 43.7 × 30.0 mm. SHA-256: 3cef099ed958c3cc4df4561dc746d0303d78abd8a2a065c4a36d2b95a0921db4.

Validation

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

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

  • Stereocentres in PubChem: 0 defined, 1 undefined; both counts match this record

  • 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/106-89-8 · Licence and provenance record: molgod.org/licenses/stl/106-89-8 · Same file on Wikimedia Commons: File:Epichlorohydrin-3D-molecular-model-engraved-CAS-106-89-8.stl

  • MolGod ID: MG_725-593-588-20

  • Wikidata: Q423083

  • EC number: 203-439-8

  • ChemSpider ID: 13837112

  • InChIKey: BRLQWZUYTZBJKN-UHFFFAOYSA-N

  • SMILES: C1C(O1)CCl

  • Molar mass 92.52 g/mol (exact mass 92.0028925)

Licence: CC BY-SA 4.0 (licence text). Required attribution: "Epichlorohydrin 3D model by MolGod.org — https://molgod.org/molecule/106-89-8/ — CC BY-SA 4.0".