3-Chloro-5-fluoroaniline

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

Loading molecule...
3D model 3-Chloro-5-fluoroaniline, CAS 4863-91-6, molecular formula C6H5ClFN, molar mass 145.56 g/mol
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 Ų, 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC6H5ClFN
Masa molowa145.56 g/mol
IUPAC3-chloro-5-fluoroaniline
SMILESC1=C(C=C(C=C1F)Cl)N
InChIKeyLPIFAHAICWJMRR-UHFFFAOYSA-N
logP (XLogP3)2.4
PSA26 Ų
HBD / HBA1 / 2
PubChem CIDCID 2734838 ↗
GHS safety

Signal word: Danger

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H332 — Działa szkodliwie w następstwie wdychania

Scientific literature

Related literature

15 articles · 8 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (15 articles)

1977: 1 articles19771981: 1 articles1984: 1 articles1989: 1 articles1993: 1 articles1997: 1 articles19972012: 1 articles2018: 1 articles2022: 1 articles2023: 4 articles2025: 1 articles2025

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

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
Related molecules
—
License & Provenance

MolGod 3D molecular model
3-Chloro-5-fluoroaniline — CAS 4863-91-6

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
3-Chloro-5-fluoroaniline (CAS 4863-91-6) — License & Provenance

Source:
3-Chloro-5-fluoroaniline (CAS 4863-91-6) — MolGod molecule record

Source data: PubChem CID 2734838

STL: Download 3D model (284 KB)

SHA-256: 9fbaaf5ca3485312f4b3b662dd52842e9abfe6fcbb3f937c9d32110a443f62ca

Wikimedia Commons: not published yet

Source data: PubChem CID 2734838

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.