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 widget above may be used for educational, research and commercial purposes.

Molecular formula	C7H4Cl4
Masa molowa	229.9 g/mol
IUPAC	1-chloro-4-(trichloromethyl)benzene
SMILES	C1=CC(=CC=C1C(Cl)(Cl)Cl)Cl
InChIKey	LVZPKYYPPLUECL-UHFFFAOYSA-N
logP (XLogP3)	4.6
PSA	0 Ų
HBD / HBA	0 / 0
PubChem CID	CID 21277 ↗

Signal word: Danger

H350 — Może powodować raka

? — H361f

H312 — Działa szkodliwie w kontakcie ze skórą

H302 — Działa szkodliwie po połknięciu

H335 — Może powodować podrażnienie dróg oddechowych

H372 — Powoduje uszkodzenie narządów poprzez długotrwałe lub powtarzane narażenie

H315 — Działa drażniąco na skórę

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

• 📊 PubChem CID 21277 — NIH
• 🔬 NIST WebBook — spektroskopia
• 💊 ChEMBL — bioaktywność

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