3-Chloro-5-fluoroaniline — License & Provenance

CAS 4863-91-6 · C6H5ClFN · MolGod 3D molecular model

3-Chloro-5-fluoroaniline (CAS 4863-91-6) — MolGod molecule record: properties, safety, literature and sources for this substance.

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Identity

MolGod Identification NumberMG_666-442-075-43
CAS Registry Number4863-91-6
Name sourcecache cas-*.json field "title" (angielski)
Molecular formulaC6H5ClFN
PubChem CID2734838
InChIKeyLPIFAHAICWJMRR-UHFFFAOYSA-N
WikidataQ72450419
MolGod molecule record3-Chloro-5-fluoroaniline (CAS 4863-91-6) — molecule record

Geometry provenance

SourcePubChem, record_type=3d (computed conformer)
Endpointhttps://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2734838/record/SDF?record_type=3d
Dimensionality3d
Retrieved2026-09-03 14:55:42
Atoms / bonds14 / 14
ModificationNone. Atomic coordinates and connectivity are used unchanged; no geometry was modelled, adjusted or inferred.

Preview

3D molecular model of 3-Chloro-5-fluoroaniline (CAS 4863-91-6), ball-and-stick representation, rendered from the MolGod STL fileDownload image


Rendered from this exact STL file, not from a second source. Single material — the STL format carries no colour channel. Colours in the preview are assigned by the renderer from the element palette and are not part of the downloadable geometry.

Engraved variant

3D molecular model of 3-Chloro-5-fluoroaniline (CAS 4863-91-6), engraved variant: element symbols recessed into each atom sphere, rendered from the MolGod STL fileDownload image

The element symbol is cut into the sphere, not printed on it. That single difference is what this variant is for.

Why the preview looks the way it does. A carved letter has no colour of its own — on a pale atom it would disappear into the highlight. The preview is rendered from the mesh itself with ray-traced cavity shading, so recesses darken because they are recessed, not because we painted them. What you see is the geometry you will receive. The element colours follow the same palette as the interactive viewer on this site, so the model and the viewer never disagree about what an atom is.

Element symbols are recessed into the atom spheres. Mesh: 188,318 triangles versus 6,112.

Download engraved variant: 3-Chloro-5-fluoroaniline-3D-molecular-model-engraved-CAS-4863-91-6.stl (9 MB)
SHA-256 e17923d0ed7909ed0073de820cdf2dc7b07ac087801da766480c16f721d17e2d
Validation: mesh validity check PASS before publication (2026-10-14); external cross-check NOT PERFORMED for this model
Recommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 7.2 mm per Å (model about 39 mm across); resin printer (50 µm) at least 1.7 mm per Å (about 10 mm). Below this scale the engraved symbols become too fine to print. The printer limits are typical values assumed by MolGod, not a test of your printer.

Artefact

FormatSTL (binary). Coordinate convention: ångström (Å) — STL itself stores no unit metadata. Slicers read STL as millimetres by default, so set the scale deliberately before printing.
Print scaleRecommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 3.4 mm per Å (model about 23 mm across); resin printer (50 µm) at least 0.5 mm per Å (about 4 mm). Below this scale the thinnest bond cylinders become too thin to print. The printer limits are typical values assumed by MolGod, not a test of your printer.
Download3-Chloro-5-fluoroaniline-3D-molecular-model-CAS-4863-91-6.stl (299 KB)
SHA-2566fe176981987c1e64fc6b99422782aab67d36054b530718bb2385589a3dca85a
MD5b29b6d6fc22c2dcbcccea9d017a1f861
Size305,684 bytes
Triangles6,112
Mesh14 atom spheres + 17 bond cylinders (one, two or three per bond, by bond order), each a closed outward-oriented solid; the solids intersect by design.
Atomic radiivan der Waals radii from the versioned MolGod table MG2, values from Bondi 1964 (doi:10.1021/j100785a001), checked against the original publication: Table I, p. 443. Used in this model: C 1.70 Å, Cl 1.75 Å, F 1.47 Å, H 1.20 Å, N 1.55 Å.
The file header declares vdw:MG2.
Sphere scale and bond radius are presentation parameters, not chemical quantities.
ExporterMolGod STL Exporter build 48804cd20b0d
Validatormesh validity check PASS before publication (2026-10-14); independently confirmed by trimesh 5.1.0 and numpy-stl (5824 triangles, watertight, consistent winding, positive volume), checked 2026-09-26T00:14:31Z
Generated2026-10-14T16:56:46Z
The STL format stores no bond-order or colour metadata. Bond order is therefore shown geometrically — one, two or three cylinders per bond, following the PubChem Kekulé structure, in both the canonical and the engraved variant — and preserved as data in this record and in the accompanying metadata.

License

LicenseCC BY-SA 4.0 International
CreatorMolGod Scientific
Required attribution"3-Chloro-5-fluoroaniline (CAS 4863-91-6) — 3D molecular model" by MolGod Scientific, licensed under CC BY-SA 4.0 International. Rendered as a triangulated mesh (van der Waals spheres and bond cylinders) from the PubChem-computed 3D conformer; atomic coordinates and connectivity unchanged. Source: https://molgod.org/licenses/stl/4863-91-6/
Wikimedia Commons tag{{Cc-by-sa-4.0}}
Source representationPubChem computed 3D conformer (record_type=3d) — generated by PubChem itself, not supplied by a depositor.
Source rights basisNCBI Molecular Data Usage Policy. NCBI does not itself restrict use or redistribution of molecular data, but does not transfer rights that individual depositors may hold.
Rights assessmentcompatible — MolGod's own determination that this computed conformer may serve as the geometric basis of a derived mesh. This is not a licence grant by the source. The measured basis is that the conformer is computed by PubChem rather than deposited by a third party. A formal legal assessment of downstream rights has not been carried out; that risk is accepted explicitly and recorded in the MolGod decision register (2026-09-25).
Assessment scopeThis assessment covers only the computed 3D conformer used as geometric input. It does not extend to depositor data obtained from PubChem — names, spectra, physicochemical values or anything else.
Source URLPubChem CID 2734838
Source license termsNCBI Policies and Disclaimers
Source licensing guidancePubChem data downloads & licensing — PubChem states that an individual data source may provide its own licence terms and that these should be checked per source. This model uses a PubChem-computed conformer, not depositor-supplied data.
Attribution URLhttps://molgod.org/molecule/4863-91-6/
License & provenance URLhttps://molgod.org/licenses/stl/4863-91-6/
ScopeThis license applies to the MolGod-created STL mesh, not automatically to third-party source material.
Licence terms & attributionMolGod licence and attribution rules →

Licence grant. MolGod Scientific, the creator and copyright holder of the STL mesh of MolGod entity MG_666-442-075-43, variant normal (SHA-256 6fe176981987c1e64fc6b99422782aab67d36054b530718bb2385589a3dca85a), hereby releases it under the CC BY-SA 4.0 International licence. The release covers the MolGod-created mesh only, not third-party source material (see Scope above).

The license above is the legal instrument and is granted by its official Creative Commons deed. This page is the MolGod provenance record for the artefact; it documents the source and the pipeline, and does not impose any condition beyond those of the license itself.