Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-

Name: Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- (CAS 392-95-0) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-02T07:31:51Z
Duration: 3 s
Channel: MolGod Scientific
Description: Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- (CAS 392-95-0) – space-filling 3D model – rotation animation, MolGod Viewer

CAS 392-95-0 · C₇H₂ClF₃N₂O₄ · MW 270.55 g/mol

Full record: Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- — Safety Data Sheet →

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

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Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-, C7H2ClF3N2O4, CAS 392-95-0 - 3D molecular model — © MolGod.org — All rights reserved · image rights

Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- (CAS 392-95-0), C7H2ClF3N2O4 - 3D ball-and-stick molecular model, engraved element symbols (C H Cl F N O), MolGod STL preview

MG_849-875-634-57 · engraved · 335,178 △ · 16 MB · SHA-256 bf59791a8f18221c

Download 3D model: Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-, C₇H₂ClF₃N₂O₄, CAS 392-95-0 · ENGRAVED (C, H, Cl, F, N, O) · 16 MB

Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- (CAS 392-95-0), C7H2ClF3N2O4 - 3D ball-and-stick molecular model, MolGod STL preview

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Download 3D model: Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-, C₇H₂ClF₃N₂O₄, CAS 392-95-0 · NORMAL · 409 KB

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About Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-

Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- is a chemical compound registered under number CAS 392-95-0, with the molecular formula C₇H₂ClF₃N₂O₄, and a molar mass of 270.55 g/mol.

The molecule contains 19 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is 2-chloro-1,5-dinitro-3-(trifluoromethyl)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 = 3.1 (positive value, a lipophilic compound), polar surface area PSA = 91.6 Å², 0 donors and 7 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	C₇H₂ClF₃N₂O₄
Molar mass	270.55 g/mol
IUPAC	2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene
SMILES	`C1=C(C=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`RLXKADBMLQPLDV-UHFFFAOYSA-N`
logP (XLogP3)	3.1
PSA	91.6 Å²
HBD / HBA	0 / 7
PubChem CID	CID 67851 ↗

GHS safety

Signal word: Warning

GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

2‐chloro‐1,5‐dinitro‐3‐(trifluoromethyl)benzene.

(2007)

$ PaywallDOI ↗PDF ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms

2-Chloro-3,5-dinitrobenzotrifluoride · 392-95-0 · 2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene · Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- · EINECS 206-883-0 · RefChem:562569 · DTXCID4039607 · 206-883-0 · C7H2ClF3N2O4 · MFCD00007076 · 2-chloro-3,5-dinitro-benzotrifluoride · 4-chloro-5-trifluoromethyl-1,3-dinitrobenzene · 2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene # · AM61946 · SCHEMBL1204635

Data sources

📊 PubChem CID 67851 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-nitroxylene CAS 328-75-6 · C8H3F6NO2 Similar structure · Tanimoto 0.48 4-Chloro-3-nitroanisole CAS 10298-80-3 · C7H6ClNO3 Shared hazard H315 3-Bromo-5-nitrobenzaldehyde CAS 355134-13-3 · C7H4BrNO3 Shared hazard H315 4-Nitro-o-xylene CAS 99-51-4 · C8H9NO2 Similar structure · Tanimoto 0.29 Phenol, 4-(1,1-dimethylethyl)-2-nitro- CAS 3279-07-0 · C10H13NO3 Shared hazard H315 Nitrobenzene CAS 98-95-3 · C6H5NO2 Similar structure · Tanimoto 0.29

📜 License & provenanceMolGod_License_1

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

Model: Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- · 392-95-0
InChIKey: RLXKADBMLQPLDV-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- (CAS 392-95-0)
License & provenance record: Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- (CAS 392-95-0) →
MolGod molecule record: Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- →
Source data: PubChem CID 67851 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): e6c516a0f36ef183a5ef065823660716c1cfc20f0dcdd9f503809abf0f5b695d
MD5 (STL): b87a00376123d23cbe04196aa21fdbb5
MolGod Identification Number: MG_849-875-634-57
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: Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-, C₇H₂ClF₃N₂O₄, CAS 392-95-0 · NORMAL · 409 KB 📄 Download 3D model: Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-, C₇H₂ClF₃N₂O₄, CAS 392-95-0 · ENGRAVED (C, H, Cl, F, N, O) · 16 MB

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