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

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

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3D model Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-, CAS 392-95-0, molecular formula C7H2ClF3N2O4, molar mass 270.55 g/mol
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 Ų, 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC7H2ClF3N2O4
Masa molowa270.55 g/mol
IUPAC2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene
SMILESC1=C(C=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])[N+](=O)[O-]
InChIKeyRLXKADBMLQPLDV-UHFFFAOYSA-N
logP (XLogP3)3.1
PSA91.6 Ų
HBD / HBA0 / 7
PubChem CIDCID 67851 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

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

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

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

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
Related molecules
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Model
Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- · 392-95-0
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CC BY 4.0 International (source rights undetermined — not yet granted)
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MolGod Scientific
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Source data
PubChem CID 67851 ↗
SHA-256 (STL)
15252baa44932ee4f304125e206681b4638d8f674b50a3f1f4e7dac6327c88d6
Wikimedia Commons
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