3-Chloro-2-methylbenzenesulfonyl chloride

CAS 80563-86-6  ·  C7H6Cl2O2S  ·  MW 225.09 g/mol

Full record: 3-Chloro-2-methylbenzenesulfonyl chloride — Safety Data Sheet →

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3D model 3-Chloro-2-methylbenzenesulfonyl chloride, CAS 80563-86-6, molecular formula C7H6Cl2O2S, molar mass 225.09 g/mol

Model views

  • 3-Chloro-2-methylbenzenesulfonyl chloride (CAS 80563-86-6) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 3-Chloro-2-methylbenzenesulfonyl chloride (CAS 80563-86-6) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 3-Chloro-2-methylbenzenesulfonyl chloride (CAS 80563-86-6) – 2D structure, MolGod Viewer
    2D structure

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About 3-Chloro-2-methylbenzenesulfonyl chloride

3-Chloro-2-methylbenzenesulfonyl chloride is a chemical compound registered under number CAS 80563-86-6, with the molecular formula C7H6Cl2O2S, and a molar mass of 225.09 g/mol.

The molecule contains 18 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 3-chloro-2-methylbenzenesulfonyl 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 = 2.9 (positive value, a lipophilic compound), polar surface area PSA = 42.5 Ų, 0 donors and 2 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC7H6Cl2O2S
Molar mass225.09 g/mol
IUPAC3-chloro-2-methylbenzenesulfonyl chloride
SMILESCC1=C(C=CC=C1Cl)S(=O)(=O)Cl
InChIKeyZSIYKAQPQRTBPF-UHFFFAOYSA-N
logP (XLogP3)2.9
PSA42.5 Ų
HBD / HBA0 / 2
PubChem CIDCID 522734 ↗
GHS safety

Signal word: Danger

GHS05
GHS05

H314 — Causes severe skin burns and eye damage

Scientific literature

Brak articles naukowych dla CAS 80563-86-6 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
3-Chloro-2-methylbenzenesulfonyl chloride · 80563-86-6 · 3-chloro-2-methylbenzene-1-sulfonyl chloride · RefChem:499801 · DTXCID90286139 · 626-743-6 · 3-Chloro-2-Methylbenzenesulphonyl chloride · MFCD00052198 · 3-Chloro-2-Methyl-Benzenesulfonyl Chloride · chloro(3-chloro-2-methylphenyl)sulfone · 3-CHLORO-2-METHYLBENZENESULFONYLCHLORIDE · SCHEMBL350041 · ALBB-001006 · BBL017937 · SBB046743
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
3-Chloro-2-methylbenzenesulfonyl chloride · 80563-86-6
InChIKey
ZSIYKAQPQRTBPF-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 3-Chloro-2-methylbenzenesulfonyl chloride (CAS 80563-86-6)
License & provenance record
3-Chloro-2-methylbenzenesulfonyl chloride (CAS 80563-86-6) →
MolGod molecule record
3-Chloro-2-methylbenzenesulfonyl chloride →
Source data
PubChem CID 522734 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
fe772b5d15af8e787829b20b443902e094c13ff8f7f0dd6a8c75c0b0cdf64a22
MD5 (STL)
5defda8ad264b6e23c89f687ddddef42
MolGod Identification Number
MG_303-010-210-21
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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