4-Bromo-2-fluorobenzene-1-sulfonyl chloride

CAS 216159-03-4  ·  C6H3BrClFO2S  ·  MW 273.51 g/mol

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3D model 4-Bromo-2-fluorobenzene-1-sulfonyl chloride, CAS 216159-03-4, molecular formula C6H3BrClFO2S, molar mass 273.51 g/mol
About 4-Bromo-2-fluorobenzene-1-sulfonyl chloride

4-Bromo-2-fluorobenzene-1-sulfonyl chloride is a chemical compound registered under number CAS 216159-03-4, with the molecular formula C6H3BrClFO2S, and a molar mass of 273.51 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is 4-bromo-2-fluorobenzenesulfonyl chloride. 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 = 2.7 (positive value, a lipophilic compound), polar surface area PSA = 42.5 Ų, 0 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 formulaC6H3BrClFO2S
Masa molowa273.51 g/mol
IUPAC4-bromo-2-fluorobenzenesulfonyl chloride
SMILESC1=CC(=C(C=C1Br)F)S(=O)(=O)Cl
InChIKeyXNYBZLRIUHNRQY-UHFFFAOYSA-N
logP (XLogP3)2.7
PSA42.5 Ų
HBD / HBA0 / 3
PubChem CIDCID 2736310 ↗
GHS safety

Signal word: Danger

GHS05
GHS05

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

Scientific literature

Related literature

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

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

📈 Publication timeline (3 articles)

1967: 1 articles19671986: 1 articles19862026: 1 articles2026

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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
4-bromo-2-fluorobenzene-1-sulfonyl chloride · RefChem:519697 · 627-329-8 · 4-Bromo-2-fluorobenzenesulfonyl chloride · 216159-03-4 · 2-fluoro-4-bromobenzenesulfonyl chloride · MFCD01090993 · 4-bromo-2-fluoro-benzenesulfonyl Chloride · 4-bromo-2-fluorobenzenesulphonyl chloride · Benzenesulfonyl chloride, 4-bromo-2-fluoro- · (4-bromo-2-fluorophenyl)chlorosulfone · 4-Bromo-2-fluorobenzenesulfonylchloride · SCHEMBL121016 · SCHEMBL29467282 · XNYBZLRIUHNRQY-UHFFFAOYSA-N
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
4-Bromo-2-fluorobenzene-1-sulfonyl chloride — CAS 216159-03-4

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

MolGod License & Provenance Record:
4-Bromo-2-fluorobenzene-1-sulfonyl chloride (CAS 216159-03-4) — License & Provenance

Source:
4-Bromo-2-fluorobenzene-1-sulfonyl chloride (CAS 216159-03-4) — MolGod molecule record

Source data: PubChem CID 2736310

STL: Download 3D model (305 KB)

SHA-256: eaa2fc3ea943bb44c224ec7c9e8515cbc79e7481678c481338d46502c7355b67

Wikimedia Commons: not published yet

Source data: PubChem CID 2736310

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