3-Chloro-5-fluoroaniline

Name: 3-Chloro-5-fluoroaniline (CAS 4863-91-6) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-02T08:28:32Z
Duration: 3 s
Channel: MolGod Scientific
Description: 3-Chloro-5-fluoroaniline (CAS 4863-91-6) – space-filling 3D model – rotation animation, MolGod Viewer

CAS 4863-91-6 · C₆H₅ClFN · MW 145.56 g/mol

Full record: 3-Chloro-5-fluoroaniline — Safety Data Sheet →

Model views

ball-and-stick 3D model
skeletal 3D model
space-filling 3D model – rotation animation
2D structure

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ENGRAVEDNORMAL

3-Chloro-5-fluoroaniline (CAS 4863-91-6), C6H5ClFN - 3D ball-and-stick molecular model, engraved element symbols (C H Cl F N), MolGod STL preview

MG_666-442-075-43 · engraved · 188,318 △ · 9 MB · SHA-256 e17923d0ed7909ed

Download 3D model: 3-Chloro-5-fluoroaniline, C₆H₅ClFN, CAS 4863-91-6 · ENGRAVED (C, H, Cl, F, N) · 9 MB

3-Chloro-5-fluoroaniline (CAS 4863-91-6), C6H5ClFN - 3D ball-and-stick molecular model, MolGod STL preview

MG_666-442-075-43 · normal · 6,112 △ · 299 KB · SHA-256 6fe176981987c1e6

Download 3D model: 3-Chloro-5-fluoroaniline, C₆H₅ClFN, CAS 4863-91-6 · NORMAL · 299 KB

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About 3-Chloro-5-fluoroaniline

3-Chloro-5-fluoroaniline is a chemical compound registered under number CAS 4863-91-6, with the molecular formula C₆H₅ClFN, and a molar mass of 145.56 g/mol.

The molecule contains 14 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is 3-chloro-5-fluoroaniline. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.4 (positive value, a lipophilic compound), polar surface area PSA = 26 Å², 1 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₆H₅ClFN
Molar mass	145.56 g/mol
IUPAC	3-chloro-5-fluoroaniline
SMILES	`C1=C(C=C(C=C1F)Cl)N`
InChIKey	`LPIFAHAICWJMRR-UHFFFAOYSA-N`
logP (XLogP3)	2.4
PSA	26 Å²
HBD / HBA	1 / 2
PubChem CID	CID 2734838 ↗

GHS safety

Signal word: Warning

GHS07

H302 — Harmful if swallowed

H332 — Harmful if inhaled

Scientific literature

Brak articles naukowych dla CAS 4863-91-6 w PubMed / OpenAlex / Semantic Scholar.

Synonyms

3-Chloro-5-fluoroaniline · 4863-91-6 · RefChem:500154 · DTXCID80321563 · 640-296-4 · MFCD03407962 · A19644 · CL8421 · 3-Chloro-5-fluoroaniline, AldrichCPR · AKOS005064045 · SY012754 · EN300-103833 · F0001-1274 · 3-chloro-5-fluoro · AM20040550

Data sources

📊 PubChem CID 2734838 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Zoxazolamine CAS 61-80-3 · C7H5ClN2O Shared hazard H332 3,5-Difluorobenzaldehyde CAS 32085-88-4 · C7H4F2O Similar structure · Tanimoto 0.26 5,7-Dichlorobenzo[d]thiazol-2-amine CAS 158465-13-5 · C7H4Cl2N2S Similar structure · Tanimoto 0.26 4-fluoro-L-phenylalanine CAS 1132-68-9 · C9H10FNO2 Shared hazard H332 5-Aminoisophthalic acid CAS 99-31-0 · C8H7NO4 Similar structure · Tanimoto 0.25 4,4'-Methylenebis(2-ethyl-6-methylbenzenamine) CAS 19900-72-2 · C19H26N2 Shared hazard H332

📜 License & provenanceMolGod_License_1

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

Model: 3-Chloro-5-fluoroaniline · 4863-91-6
InChIKey: LPIFAHAICWJMRR-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 3-Chloro-5-fluoroaniline (CAS 4863-91-6)
License & provenance record: 3-Chloro-5-fluoroaniline (CAS 4863-91-6) →
MolGod molecule record: 3-Chloro-5-fluoroaniline →
Source data: PubChem CID 2734838 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 6fe176981987c1e64fc6b99422782aab67d36054b530718bb2385589a3dca85a
MD5 (STL): b29b6d6fc22c2dcbcccea9d017a1f861
MolGod Identification Number: MG_666-442-075-43
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: not published yet

📄 Download 3D model: 3-Chloro-5-fluoroaniline, C₆H₅ClFN, CAS 4863-91-6 · NORMAL · 299 KB 📄 Download 3D model: 3-Chloro-5-fluoroaniline, C₆H₅ClFN, CAS 4863-91-6 · ENGRAVED (C, H, Cl, F, N) · 9 MB

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