2-Chloro-5-iodotoluene

CAS 116632-41-8  ·  C7H6ClI  ·  MW 252.48 g/mol

Full record: 2-Chloro-5-iodotoluene — Safety Data Sheet →

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3D model 2-Chloro-5-iodotoluene, CAS 116632-41-8, molecular formula C7H6ClI, molar mass 252.48 g/mol

Model views

  • 2-Chloro-5-iodotoluene (CAS 116632-41-8) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2-Chloro-5-iodotoluene (CAS 116632-41-8) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2-Chloro-5-iodotoluene (CAS 116632-41-8) – 2D structure, MolGod Viewer
    2D structure

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2-Chloro-5-iodotoluene (CAS 116632-41-8), C7H6ClI - 3D ball-and-stick molecular model, engraved element symbols (C H Cl I), MolGod STL previewDownload image

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About 2-Chloro-5-iodotoluene

2-Chloro-5-iodotoluene is a chemical compound registered under number CAS 116632-41-8, with the molecular formula C7H6ClI, and a molar mass of 252.48 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is 1-chloro-4-iodo-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 = 3.6 (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 formulaC7H6ClI
Molar mass252.48 g/mol
IUPAC1-chloro-4-iodo-2-methylbenzene
SMILESCC1=C(C=CC(=C1)I)Cl
InChIKeyMMBDKGFWRIYSRD-UHFFFAOYSA-N
logP (XLogP3)3.6
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 4200996 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 116632-41-8 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
2-Chloro-5-iodotoluene · 116632-41-8 · 1-chloro-4-iodo-2-methylbenzene · RefChem:469362 · DTXCID70351637 · 601-441-7 · Benzene, 1-chloro-4-iodo-2-methyl- · MFCD03093903 · 1-chloro-4-iodo-2-methyl-benzene · 2-chloro-5-iodo-toluene · SCHEMBL79161 · SCHEMBL3729519 · 2-Chloro-5-iodotoluene, 98% · SCHEMBL30625987 · AKOS015890118
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2-Chloro-5-iodotoluene · 116632-41-8
InChIKey
MMBDKGFWRIYSRD-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2-Chloro-5-iodotoluene (CAS 116632-41-8)
License & provenance record
2-Chloro-5-iodotoluene (CAS 116632-41-8) →
MolGod molecule record
2-Chloro-5-iodotoluene →
Source data
PubChem CID 4200996 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
94d614c7c757533ced4dfb6a7c57d5e42a62a0da9a3ae5999d648ffc9c29542c
MD5 (STL)
af193c48c297c8aaf5ae30f4f6cdd8b4
MolGod Identification Number
MG_681-539-060-37
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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