This entry presents 4-Chlorobenzotrichloride (C7H4Cl4; CAS 5216-25-1; PubChem CID 21277) 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: 4-Chlorobenzotrichloride is recorded as a carcinogen (source: Wikidata Q22338118, retrieved 2026-10-10).

Structure at a glance

• 15 atoms: 7 C, 4 H, 4 Cl

• 15 bonds: 9 single, 6 aromatic

• One aromatic 6-membered ring

• Functional groups: four C-Cl bonds

• 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, 4 H, 4 Cl; 15 atoms) and rebuild the formula C7H4Cl4 from the model alone.

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

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

File and printing

STL mesh of 226,358 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: 6.764 × 6.25 × 4.526 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 67.6 × 62.5 × 45.3 mm. SHA-256: 97bedc6618b22975f18e30238734cd8e219a99bcd8342f490daf03713a4d7ef1.

Validation

• InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): LVZPKYYPPLUECL-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/5216-25-1 · Licence and provenance record: molgod.org/licenses/stl/5216-25-1 · Same file on Wikimedia Commons: File:4-Chlorobenzotrichloride-3D-molecular-model-engraved-CAS-5216-25-1.stl

• MolGod ID: MG_191-835-326-67

• Wikidata: Q22338118

• EC number: 226-009-1

• ChemSpider ID: 20002

• IUPAC name: 1-chloro-4-(trichloromethyl)benzene

• InChIKey: LVZPKYYPPLUECL-UHFFFAOYSA-N

• SMILES: C1=CC(=CC=C1C(Cl)(Cl)Cl)Cl

• Molar mass 229.9 g/mol (exact mass 229.903761)

Licence: CC BY-SA 4.0 (licence text). Required attribution: "4-Chlorobenzotrichloride 3D model by MolGod.org — https://molgod.org/molecule/5216-25-1/ — CC BY-SA 4.0".