3-Chloro-4-methoxyaniline

CAS 5345-54-0  ·  C7H8ClNO  ·  MW 157.60 g/mol

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3D model 3-Chloro-4-methoxyaniline, CAS 5345-54-0, molecular formula C7H8ClNO, molar mass 157.60 g/mol
About 3-Chloro-4-methoxyaniline

3-Chloro-4-methoxyaniline is a chemical compound registered under number CAS 5345-54-0, with the molecular formula C7H8ClNO, and a molar mass of 157.60 g/mol.

The molecule contains 18 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 3-chloro-4-methoxyaniline. 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 (positive value, a lipophilic compound), polar surface area PSA = 35.3 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 formulaC7H8ClNO
Masa molowa157.60 g/mol
IUPAC3-chloro-4-methoxyaniline
SMILESCOC1=C(C=C(C=C1)N)Cl
InChIKeyXQVCBOLNTSUFGD-UHFFFAOYSA-N
logP (XLogP3)2
PSA35.3 Ų
HBD / HBA1 / 2
PubChem CIDCID 21441 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

Scientific literature

Related literature

14 articles · 7 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (14 articles)

1917: 1 articles19171932: 1 articles1940: 1 articles2004: 2 articles2012: 1 articles20122019: 6 articles2022: 1 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.

Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
3-Chloro-4-methoxyaniline — CAS 5345-54-0

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

MolGod License & Provenance Record:
3-Chloro-4-methoxyaniline (CAS 5345-54-0) — License & Provenance

Source:
3-Chloro-4-methoxyaniline (CAS 5345-54-0) — MolGod molecule record

Source data: PubChem CID 21441

STL: Download 3D model (366 KB)

SHA-256: 8b2001242a8de9a38d47fc61ceced9c793c7996a635e5e32ced700a0ea3b64f4

Wikimedia Commons: not published yet

Source data: PubChem CID 21441

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