4-Chloro-3-nitroanisole

Name: 4-Chloro-3-nitroanisole (CAS 10298-80-3) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-10-27T13:00:01Z
Duration: 3 s
Channel: MolGod Scientific
Description: 4-Chloro-3-nitroanisole (CAS 10298-80-3) – space-filling 3D model – rotation animation, MolGod Viewer

CAS 10298-80-3 · C₇H₆ClNO₃ · MW 187.58 g/mol

Model views

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

About 4-Chloro-3-nitroanisole

4-Chloro-3-nitroanisole is a chemical compound registered under number CAS 10298-80-3, with the molecular formula C₇H₆ClNO₃, and a molar mass of 187.58 g/mol.

The molecule contains 18 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 1-chloro-4-methoxy-2-nitrobenzene. 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 = 2.2 (positive value, a lipophilic compound), polar surface area PSA = 55.1 Å², 0 donors and 3 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	C₇H₆ClNO₃
Molar mass	187.58 g/mol
IUPAC	1-chloro-4-methoxy-2-nitrobenzene
SMILES	`COC1=CC(=C(C=C1)Cl)[N+](=O)[O-]`
InChIKey	`HISHUMDTGXICEZ-UHFFFAOYSA-N`
logP (XLogP3)	2.2
PSA	55.1 Å²
HBD / HBA	0 / 3
PubChem CID	CID 25140 ↗

GHS safety

Signal word: Warning

GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 10298-80-3 w PubMed / OpenAlex / Semantic Scholar.

Synonyms

4-Chloro-3-nitroanisole · 1-Chloro-4-methoxy-2-nitrobenzene · Benzene, 1-chloro-4-methoxy-2-nitro- · RefChem:521371 · Benzene, 1-chloro-4-methoxy-2-nitro-(9CI) · 233-674-1 · 10298-80-3 · 2-Chloro-5-methoxynitrobenzene · ANISOLE, 4-CHLORO-3-NITRO- · MFCD00007077 · 1-Chloro-4-methoxy-2-nitro-Benzene · NSC-47339 · Iguratimod Impurity 15 · EINECS 233-674-1 · NSC 47339

Data sources

📊 PubChem CID 25140 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

4-nitroaniline (CAS 100-01-6) CAS 100-01-6 · C6H6N2O2 Chlorine (CAS 7782-50-5) CAS 7782-50-5 · Cl2 Cyclohexane (CAS 110-82-7) CAS 110-82-7 · C6H12 Pyrithione zinc (CAS 13463-41-7) CAS 13463-41-7 · C₁₀H₈N₂O₂S₂Zn 4,4'-diaminodiphenylmethane (CAS 101-77-9) CAS 101-77-9 · C13H14N2 Nickel bis(sulfamidate) (CAS 13770-89-3) CAS 13770-89-3 · H₄N₂NiO₆S₂

📜 License & provenanceMolGod_License_1

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

ENGRAVEDNORMAL

4-Chloro-3-nitroanisole (CAS 10298-80-3), C7H6ClNO3 - 3D ball-and-stick molecular model, engraved element symbols (C H Cl N O), MolGod STL preview

MG_912-759-881-94 · engraved · 253,190 △ · 12 MB · SHA-256 c6031c3512f9cd68

Download 3D model · ENGRAVED · C H Cl N O

4-Chloro-3-nitroanisole (CAS 10298-80-3), C7H6ClNO3 - 3D ball-and-stick molecular model, MolGod STL preview

MG_912-759-881-94 · normal · 7,872 △ · 384 KB · SHA-256 8a5bfabf473614ee

Download 3D model

Model: 4-Chloro-3-nitroanisole · 10298-80-3
InChIKey: HISHUMDTGXICEZ-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 4-Chloro-3-nitroanisole (CAS 10298-80-3)
License & provenance record: 4-Chloro-3-nitroanisole (CAS 10298-80-3) →
MolGod molecule record: 4-Chloro-3-nitroanisole →
Source data: PubChem CID 25140 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 8a5bfabf473614ee60c4448f6c622c1b095b82738f264c75d09bd5ead31fac73
MD5 (STL): 2fd1635a8bf7c49405af87a123c8aaaa
MolGod Identification Number: MG_912-759-881-94
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: STL · PNG

📄 Download 3D model (384 KB)📄 Download 3D model · ENGRAVED · C H Cl N O · (12 MB)

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