2,6-Dichlorotoluene

CAS 118-69-4  ·  C7H6Cl2  ·  MW 161.03 g/mol

Full record: 2,6-Dichlorotoluene — Safety Data Sheet →

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3D model 2,6-Dichlorotoluene, CAS 118-69-4, molecular formula C7H6Cl2, molar mass 161.03 g/mol

Model views

  • 2,6-Dichlorotoluene (CAS 118-69-4) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2,6-Dichlorotoluene (CAS 118-69-4) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2,6-Dichlorotoluene (CAS 118-69-4) – 2D structure, MolGod Viewer
    2D structure

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2,6-Dichlorotoluene, C7H6Cl2, CAS 118-69-4 - 3D molecular model
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About 2,6-Dichlorotoluene

2,6-Dichlorotoluene is a chemical compound registered under number CAS 118-69-4, with the molecular formula C7H6Cl2, and a molar mass of 161.03 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is 1,3-dichloro-2-methylbenzene. 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 = 4.3 (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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC7H6Cl2
Molar mass161.03 g/mol
IUPAC1,3-dichloro-2-methylbenzene
SMILESCC1=C(C=CC=C1Cl)Cl
InChIKeyDMEDNTFWIHCBRK-UHFFFAOYSA-N
logP (XLogP3)4.3
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 8368 ↗
GHS safety

Signal word: Danger

GHS09
GHS09

H302 — Harmful if swallowed

H315 — Causes skin irritation

H318 — Causes serious eye damage

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

H411 — Toxic to aquatic life with long lasting effects

H412 — Harmful to aquatic life with long lasting effects

Scientific literature

Brak articles naukowych dla CAS 118-69-4 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
2,6-DICHLOROTOLUENE · 118-69-4 · Benzene, 1,3-dichloro-2-methyl- · Toluene, 2,6-dichloro- · RVM09757WW · NSC-60722 · DTXCID1020697 · RefChem:1060245 · 204-269-7 · 1,3-Dichloro-2-methylbenzene · 1,3-dichloro-2-methyl-benzene · MFCD00000576 · UNII-RVM09757WW · HSDB 4020 · NSC60722
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2,6-Dichlorotoluene · 118-69-4
InChIKey
DMEDNTFWIHCBRK-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2,6-Dichlorotoluene (CAS 118-69-4)
License & provenance record
2,6-Dichlorotoluene (CAS 118-69-4) →
MolGod molecule record
2,6-Dichlorotoluene →
Source data
PubChem CID 8368 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
0a9837c94045e00ec4971fc23791e03f778a286c9c19df122141dabc76de1896
MD5 (STL)
d02770e9bcc1610b72696a475640ffdb
MolGod Identification Number
MG_109-673-862-87
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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