3-cyanobenzene-1-sulfonyl chloride (CAS 56542-67-7)

3-Cyanobenzene-1-sulfonyl chloride

CAS 56542-67-7  ·  C7H4ClNO2S  ·  MW 201.63 g/mol

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3D model 3-Cyanobenzene-1-sulfonyl chloride, CAS 56542-67-7, molecular formula C7H4ClNO2S, molar mass 201.63 g/mol
About 3-cyanobenzene-1-sulfonyl chloride (CAS 56542-67-7)

3-cyanobenzene-1-sulfonyl chloride (CAS 56542-67-7) is a chemical compound registered under number CAS 56542-67-7, with the molecular formula C7H4ClNO2S, and a molar mass of 201.63 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is 3-cyanobenzenesulfonyl 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 = 1.7 (positive value, a lipophilic compound), polar surface area PSA = 66.3 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
Wzór sumarycznyC7H4ClNO2S
Masa molowa201.63 g/mol
IUPAC3-cyanobenzenesulfonyl chloride
SMILESC1=CC(=CC(=C1)S(=O)(=O)Cl)C#N
InChIKeyBHNRGBRMCNHNQD-UHFFFAOYSA-N
logP (XLogP3)1.7
PSA66.3 Ų
HBD / HBA0 / 3
PubChem CIDCID 2801360 ↗
GHS safety

Sygnał: Niebezpieczeństwo

GHS05
GHS05
GHS07
GHS07

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

H317 — Może powodować reakcję alergiczną skóry

Scientific literature

Related literature

20 artykułów · 17 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

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

📈 Timeline publikacji (20 artykułów)

2014: 1 artykułów20142016: 1 artykułów2022: 1 artykułów2024: 3 artykułów20242025: 2 artykułów2026: 12 artykułów2026

Wysokość słupka = liczba artykułów w roku. Hover dla szczegółów.

Michèle B. Heeb, J. Criquet, Saskia G Zimmermann-Steffens et al. (2014) · Water Research
AI Summary
It could be shown that HOBr/OBr(-) are the dominant species in fresh waters and in ocean waters, other bromine species such as Br2, BrCl, and Br2O gain importance and may have to be considered under certain conditions.
Cytowania: 479Influential: 10Open AccessDOI ↗PubMed ↗PDF ↗
M. Shamsipur, Zahra Memari, M. Ganjali et al. (2016) · Journal of Pharmaceutical and Biomedical Analysis
AI Summary
A simple and sensitive method for the detection of DNA hybridization in a homogeneous format was developed, using bis(8-hydroxyquinoline-5-solphonate)cerium(III) chloride (Ce(QS)2Cl) as a novel fluorescent probe.
Cytowania: 18$ PaywallDOI ↗PubMed ↗

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

Synonyms
3-cyanobenzene-1-sulfonyl chloride · RefChem:500634 · 628-035-2 · 56542-67-7 · 3-Cyanobenzenesulfonyl chloride · 3-Cyanobenzene-1-sulfonylchloride · Benzenesulfonyl chloride, 3-cyano- · MFCD00203480 · 3-cyano-benzenesulfonyl chloride · 3-cyanobenzenesulphonyl chloride · SCHEMBL65861 · 3-cyanobenzenesulfonylchloride · 3-cyanobenzene sulphonyl chloride · 3-cyano benzene sulfonyl chloride · BHNRGBRMCNHNQD-UHFFFAOYSA-N
Data sources
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