Description

This entry presents 1-Bromopropane (C3H7Br; CAS 106-94-5; PubChem CID 7840 (https://pubchem.ncbi.nlm.nih.gov/compound/7840)) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, Br), 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. Biological relevance: 1-Bromopropane is recorded as a carcinogen and as a developmental toxicant and a male and female reproductive toxicant (source: Wikidata Q161589 (https://www.wikidata.org/wiki/Q161589), retrieved 2026-10-10). Structure at a glance 11 atoms: 3 C, 7 H, 1 Br 10 bonds, all single No rings (open-chain structure) Functional group: one C-Br bond No hydrogen-bond donors or acceptors (computed) Every carbon atom is sp3-hybridised (tetrahedral) Use in teaching Counting task: students tally the engraved symbols (3 C, 7 H, 1 Br; 11 atoms) and rebuild the formula C3H7Br from the model alone. Functional groups: find the C-Br bond on the model and name it. File and printing STL mesh of 130,036 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: 4.782 × 4.291 × 3.413 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 47.8 × 42.9 × 34.1 mm. SHA-256: 345ab9368a24d1afb35ff04243abdb6b5653e305f0e06add08a5ea4e19f56673. Validation InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): CYNYIHKIEHGYOZ-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/106-94-5 (https://molgod.org/molecule/106-94-5/?utm_source=nih3d&utm_medium=referral&utm_campaign=edu-3d-models) · Licence and provenance record: molgod.org/licenses/stl/106-94-5 (https://molgod.org/licenses/stl/106-94-5/) · Same file on Wikimedia Commons: File:1-Bromopropane-3D-molecular-model-engraved-CAS-106-94-5.stl (https://commons.wikimedia.org/wiki/File:1-Bromopropane-3D-molecular-model-engraved-CAS-106-94-5.stl) MolGod ID: MG_688-645-175-61 (https://molgod.org/id/MG_688-645-175-61) Wikidata: Q161589 (https://www.wikidata.org/wiki/Q161589) EC number: 203-445-0 ChemSpider ID: 7552 IUPAC name: 1-bromopropane InChIKey: CYNYIHKIEHGYOZ-UHFFFAOYSA-N SMILES: CCCBr Molar mass 122.99 g/mol (exact mass 121.97311) Licence: CC BY-SA 4.0 (licence text (https://creativecommons.org/licenses/by-sa/4.0/)). Required attribution: "1-Bromopropane 3D model by MolGod.org — https://molgod.org/molecule/106-94-5/ — CC BY-SA 4.0".