1,1'-Oxybis(4-nitrobenzene)

Name: 1,1'-Oxybis(4-nitrobenzene) (CAS 101-63-3) — complete chemical dataset
Creator: MolGod.org
License: https://molgod.org/copyright/#data

CAS 101-63-3 · C₁₂H₈N₂O₅ · MW 260.20 g/mol

Model views

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

About 1,1'-Oxybis(4-nitrobenzene)

1,1'-Oxybis(4-nitrobenzene) is a chemical compound registered under number CAS 101-63-3, with the molecular formula C₁₂H₈N₂O₅, and a molar mass of 260.20 g/mol.

The molecule contains 27 atoms connected by 28 chemical bonds. The full systematic IUPAC name of this compound is 1-nitro-4-(4-nitrophenoxy)benzene. 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 = 3.7 (positive value, a lipophilic compound), polar surface area PSA = 101 Å², 0 donors and 5 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	C₁₂H₈N₂O₅
Molar mass	260.20 g/mol
IUPAC	1-nitro-4-(4-nitrophenoxy)benzene
SMILES	`C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]`
InChIKey	`MWAGUKZCDDRDCS-UHFFFAOYSA-N`
logP (XLogP3)	3.7
PSA	101 Å²
HBD / HBA	0 / 5
PubChem CID	CID 7568 ↗

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 101-63-3 w PubMed / OpenAlex / Semantic Scholar.

Synonyms

4,4'-Dinitrodiphenyl ether · 101-63-3 · p-Nitrophenyl ether · Bis(4-nitrophenyl) ether · Di-4-nitrophenyl ether · Ether, bis(p-nitrophenyl) · p,p'-Dinitrodiphenyl ether · Oxybis(4-nitrobenzene) · 1,1'-Oxybis(4-nitrobenzene) · Bis(p-nitrophenyl) ether · Oxybis[4-nitrobenzene] · T852Y5UXCE · NSC-8740 · DTXCID306676 · 1,1'-Oxybis[4-nitrobenzene]

Data sources

📊 PubChem CID 7568 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Melatonin (CAS 73-31-4) CAS 73-31-4 · C13H16N2O2 Dibutyltin dichloride (CAS 683-18-1) CAS 683-18-1 · C₈H₁₈Cl₂Sn (-)-Zingiberene (CAS 495-60-3) CAS 495-60-3 · C15H24 Potassium permanganate (CAS 7722-64-7) CAS 7722-64-7 · KMnO₄ Quetiapine (CAS 111974-69-7) CAS 111974-69-7 · C21H25N3O2S Lead di(acetate) (CAS 301-04-2) CAS 301-04-2 · C₄H₆O₄Pb

📜 License & provenanceMolGod_License_1

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

ENGRAVEDNORMAL

1,1'-Oxybis(4-nitrobenzene) (CAS 101-63-3), C12H8N2O5 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL preview

MG_273-288-811-72 · engraved · 390,444 △ · 19 MB · SHA-256 e8fce940777be802

Download 3D model · ENGRAVED · C H N O

1,1'-Oxybis(4-nitrobenzene) (CAS 101-63-3), C12H8N2O5 - 3D ball-and-stick molecular model, MolGod STL preview

MG_273-288-811-72 · normal · 12,096 △ · 591 KB · SHA-256 32feef0abaa140bc

Download 3D model

Model: 1,1'-Oxybis(4-nitrobenzene) · 101-63-3
InChIKey: MWAGUKZCDDRDCS-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 1,1'-Oxybis(4-nitrobenzene) (CAS 101-63-3)
License & provenance record: 1,1'-Oxybis(4-nitrobenzene) (CAS 101-63-3) →
MolGod molecule record: 1,1'-Oxybis(4-nitrobenzene) →
Source data: PubChem CID 7568 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 32feef0abaa140bc505db6ee0bf25c421ded56d9d013985cdd0a79d622b14588
MD5 (STL): c2e7f838273ccab1a1e635157a28b249
MolGod Identification Number: MG_273-288-811-72
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 (591 KB)📄 Download 3D model · ENGRAVED · C H N O · (19 MB)

Free printable molecule model
Download the model, print it and use it in education. When you publish a photo, a material or an adaptation, the CC BY-SA 4.0 International licence requires you to credit “MolGod Scientific” as the author of the model, link to the original and to the licence text, indicate any changes you made and share adaptations under the same licence. A ready-to-use attribution text is in this section. No sign-up, no fees and no obligation to leave a review.

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