Description

This entry presents Benzyl Chloride (C7H7Cl; CAS 100-44-7; PubChem CID 7503 (https://pubchem.ncbi.nlm.nih.gov/compound/7503)) 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. Biological relevance: Benzyl chloride is recorded as a carcinogen (source: Wikidata Q412260 (https://www.wikidata.org/wiki/Q412260), retrieved 2026-10-10). Structure at a glance 15 atoms: 7 C, 7 H, 1 Cl 15 bonds: 9 single, 6 aromatic One aromatic 6-membered ring Functional group: one C-Cl bond No hydrogen-bond donors or acceptors (computed) Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.14 (computed) Use in teaching Counting task: students tally the engraved symbols (7 C, 7 H, 1 Cl; 15 atoms) and rebuild the formula C7H7Cl from the model alone. Aromaticity: identify the aromatic ring and the 6 bonds recorded as aromatic. Functional groups: find the C-Cl bond on the model and name it. File and printing STL mesh of 198,906 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: 5.402 × 5.928 × 4.536 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 54.0 × 59.3 × 45.4 mm. SHA-256: 734810b99f57fcfa2c74fc313effda84594be25323b3d983dfb0688024232c25. Validation InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): KCXMKQUNVWSEMD-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/100-44-7 (https://molgod.org/molecule/100-44-7/?utm_source=nih3d&utm_medium=referral&utm_campaign=edu-3d-models) · Licence and provenance record: molgod.org/licenses/stl/100-44-7 (https://molgod.org/licenses/stl/100-44-7/) · Same file on Wikimedia Commons: File:Benzyl Chloride-3D-molecular-model-engraved-CAS-100-44-7.stl (https://commons.wikimedia.org/wiki/File:Benzyl_Chloride-3D-molecular-model-engraved-CAS-100-44-7.stl) MolGod ID: MG_994-015-924-46 (https://molgod.org/id/MG_994-015-924-46) Wikidata: Q412260 (https://www.wikidata.org/wiki/Q412260) EC number: 202-853-6 ChemSpider ID: 13840690 IUPAC name: chloromethylbenzene InChIKey: KCXMKQUNVWSEMD-UHFFFAOYSA-N SMILES: C1=CC=C(C=C1)CCl Molar mass 126.58 g/mol (exact mass 126.0236279) Licence: CC BY-SA 4.0 (licence text (https://creativecommons.org/licenses/by-sa/4.0/)). Required attribution: "Benzyl Chloride 3D model by MolGod.org — https://molgod.org/molecule/100-44-7/ — CC BY-SA 4.0".