2,4-Dichloro-3-ethyl-6-nitrophenol

CAS 99817-36-4  ·  C8H7Cl2NO3  ·  MW 236.05 g/mol

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3D model 2,4-Dichloro-3-ethyl-6-nitrophenol, CAS 99817-36-4, molecular formula C8H7Cl2NO3, molar mass 236.05 g/mol
About 2,4-Dichloro-3-ethyl-6-nitrophenol

2,4-Dichloro-3-ethyl-6-nitrophenol is a chemical compound registered under number CAS 99817-36-4, with the molecular formula C8H7Cl2NO3, and a molar mass of 236.05 g/mol.

The molecule contains 21 atoms connected by 21 chemical bonds. The full systematic IUPAC name of this compound is 2,4-dichloro-3-ethyl-6-nitrophenol. 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 = 4 (positive value, a lipophilic compound), polar surface area PSA = 66.1 Ų, 1 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC8H7Cl2NO3
Masa molowa236.05 g/mol
IUPAC2,4-dichloro-3-ethyl-6-nitrophenol
SMILESCCC1=C(C=C(C(=C1Cl)O)[N+](=O)[O-])Cl
InChIKeyYTVCECQSAPGJBB-UHFFFAOYSA-N
logP (XLogP3)4
PSA66.1 Ų
HBD / HBA1 / 3
PubChem CIDCID 7020339 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS06
GHS06
GHS07
GHS07
GHS09
GHS09

H301 — Działa toksycznie po połknięciu

H318 — Powoduje poważne uszkodzenie oczu

H317 — Może powodować reakcję alergiczną skóry

H400 — Działa bardzo toksycznie na organizmy wodne

H410 — Działa bardzo toksycznie na organizmy wodne, powodując długotrwałe skutki

Scientific literature

Related literature

15 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

1968: 1 articles19681994: 2 articles2004: 4 articles2007: 3 articles20072012: 2 articles2015: 1 articles2022: 1 articles2022

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

Synonyms
2,4-Dichloro-3-ethyl-6-nitrophenol · Phenol, 2,4-dichloro-3-ethyl-6-nitro- · EC 420-740-1 · RefChem:82324 · DTXCID801028057 · 420-740-1 · 99817-36-4 · MFCD00270764 · 2-Nitro-4,6-dichloro-5-ethylphenol · C8H7Cl2NO3 · 2,4-dichloro-3-ethyl-6-nitro-phenol · D25RLM3TCQ · SCHEMBL8082966 · SBB059307 · 5-Ethyl-4,6-dichloro-2-nitrophenol
Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
2,4-Dichloro-3-ethyl-6-nitrophenol · 99817-36-4
License
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 7020339 ↗
SHA-256 (STL)
5f113d340c4a167e15bf4e3cc8134e5d6f8845d2c5368ba14306a346ea022a54
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