1-(2-Bromoethyl)-4-chlorobenzene

CAS 6529-53-9  ·  C8H8BrCl  ·  MW 219.50 g/mol

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3D model 1-(2-Bromoethyl)-4-chlorobenzene, CAS 6529-53-9, molecular formula C8H8BrCl, molar mass 219.50 g/mol
About 1-(2-Bromoethyl)-4-chlorobenzene

1-(2-Bromoethyl)-4-chlorobenzene is a chemical compound registered under number CAS 6529-53-9, with the molecular formula C8H8BrCl, and a molar mass of 219.50 g/mol.

The molecule contains 18 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 1-(2-bromoethyl)-4-chlorobenzene. 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 = 0 Ų, 0 donors and 0 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 formulaC8H8BrCl
Masa molowa219.50 g/mol
IUPAC1-(2-bromoethyl)-4-chlorobenzene
SMILESC1=CC(=CC=C1CCBr)Cl
InChIKeyYAFMYKFAUNCQPU-UHFFFAOYSA-N
logP (XLogP3)3.7
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 23029 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H318 — Powoduje poważne uszkodzenie oczu

Scientific literature

Related literature

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

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

📈 Publication timeline (2 articles)

2016: 1 articles20162017: 1 articles2017

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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.

Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
1-(2-Bromoethyl)-4-chlorobenzene — CAS 6529-53-9

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
1-(2-Bromoethyl)-4-chlorobenzene (CAS 6529-53-9) — License & Provenance

Source:
1-(2-Bromoethyl)-4-chlorobenzene (CAS 6529-53-9) — MolGod molecule record

Source data: PubChem CID 23029

STL: Download 3D model (366 KB)

SHA-256: 1aeaf0e526d5bfec0b61f65b2d339b4ef2cc8a8fecf4cd852c47339465772f3b

Wikimedia Commons: not published yet

Source data: PubChem CID 23029

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