α, α,α,4-tetrachlorotoluene (CAS 5216-25-1)

4-Chlorobenzotrichloride

CAS 5216-25-1  ·  C7H4Cl4  ·  MW 229.9 g/mol

Full record: α, α,α,4-tetrachlorotoluene (CAS 5216-25-1) — Safety Data Sheet →

Loading molecule...
3D model 4-Chlorobenzotrichloride, CAS 5216-25-1, molecular formula C7H4Cl4, molar mass 229.9 g/mol

Model views

  • 4-Chlorobenzotrichloride (CAS 5216-25-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 4-Chlorobenzotrichloride (CAS 5216-25-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 4-Chlorobenzotrichloride (CAS 5216-25-1) – 2D structure, MolGod Viewer
    2D structure

© 2026 MolGod.org. All rights reserved. · Image rights

🖨️ 3D print model & licenseMolGod_Print3D_1
4-Chlorobenzotrichloride (CAS 5216-25-1), C7H4Cl4 - 3D ball-and-stick molecular model, engraved element symbols (C H Cl), MolGod STL previewDownload image

MG_191-835-326-67 · engraved · 222,858 △ · 11 MB · SHA-256 9ff826bb94200f26

Download 3D model · ENGRAVED · C H Cl

4-Chlorobenzotrichloride (CAS 5216-25-1), C7H4Cl4 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_191-835-326-67 · normal · 6,528 △ · 319 KB · SHA-256 34108c43d49ff95d

Download 3D model

License & provenance ↓

⚠️ The MolGod.org name and logo, including the raised logo on the base, are our trademark. The CC BY-SA 4.0 licence does not cover trademarks (section 2(b)(2)). Do not use the MolGod.org logo to brand your own products, in advertising, or in any way that suggests our endorsement without our written permission.

About α, α,α,4-tetrachlorotoluene (CAS 5216-25-1)

α, α,α,4-tetrachlorotoluene (CAS 5216-25-1) is a chemical compound registered under number CAS 5216-25-1, with the molecular formula C7H4Cl4, and a molar mass of 229.9 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is 1-chloro-4-(trichloromethyl)benzene. 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 = 4.6 (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 formulaC7H4Cl4
Molar mass229.9 g/mol
IUPAC1-chloro-4-(trichloromethyl)benzene
SMILESC1=CC(=CC=C1C(Cl)(Cl)Cl)Cl
InChIKeyLVZPKYYPPLUECL-UHFFFAOYSA-N
logP (XLogP3)4.6
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 21277 ↗
GHS safety

Signal word: Danger

GHS07
GHS07
GHS08
GHS08

H350 — May cause cancer

? — H361f — Suspected of damaging fertility

H312 — Harmful in contact with skin

H302 — Harmful if swallowed

H335 — May cause respiratory irritation

H372 — Causes damage to organs through prolonged or repeated exposure

H315 — Causes skin irritation

Scientific literature

Brak articles naukowych dla CAS 5216-25-1 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
4-CHLOROBENZOTRICHLORIDE · 5216-25-1 · 1-Chloro-4-(trichloromethyl)benzene · Benzene, 1-chloro-4-(trichloromethyl)- · p-Chlorophenyltrichloromethane · alpha,alpha,alpha-Trichloro-4-chlorotoluene · 1UP9GJU33S · p,alpha,alpha,alpha-Tetrachlorotoluene · Toluene, p,alpha,alpha,alpha-tetrachloro- · DTXCID607593 · AAATCT · 4,alpha,alpha,alpha-Tetrachlorotoluene · RefChem:98556 · P-CHLORO-ALPHA,ALPHA,ALPHA-TRICHLOROTOLUENE · 226-009-1
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
4-Chlorobenzotrichloride · 5216-25-1
InChIKey
LVZPKYYPPLUECL-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 4-Chlorobenzotrichloride (CAS 5216-25-1)
License & provenance record
4-Chlorobenzotrichloride (CAS 5216-25-1) →
MolGod molecule record
4-Chlorobenzotrichloride →
Source data
PubChem CID 21277 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
34108c43d49ff95dbf06d2dd411109eb461d6b5516cb32ef20b580507832a1b2
MD5 (STL)
2e3bf57b18cb9cc1aedf2cf86aaa68c2
MolGod Identification Number
MG_191-835-326-67
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
Free printable molecule model
Download the model, print it and use it in education. When you publish a photo, a material or an adaptation, the CC BY-SA 4.0 International licence requires you to credit “MolGod Scientific” as the author of the model, link to the original and to the licence text, indicate any changes you made and share adaptations under the same licence. A ready-to-use attribution text is in this section. No sign-up, no fees and no obligation to leave a review.

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23277603) · NIH 3D (3DPX-023730) · Wikimedia Commons
Included in datasets: Figshare (DOI 10.6084/m9.figshare.34439148) · Hugging Face · OSF project index
Source structure: PubChem (CID 21277)
—